 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer08_STD_M11_def2SVPD.in
 Output=10_L-serine_conformer08_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-254703.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    254723.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer08_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:37:28 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer08_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.250904000000     -0.690050000000      0.276818000000
  C                                                 0.189479000000      0.206848000000     -0.338320000000
  C                                                -1.218867000000     -0.343463000000     -0.063422000000
  O                                                -2.139786000000      0.610664000000      0.106878000000
  O                                                 2.516052000000     -0.170687000000     -0.121294000000
  N                                                 0.262737000000      1.614990000000      0.062074000000
  O                                                -1.475252000000     -1.516387000000     -0.031909000000
  H                                                 0.312462000000      0.172012000000     -1.425027000000
  H                                                 1.148785000000     -0.681214000000      1.370514000000
  H                                                 1.101193000000     -1.714061000000     -0.069890000000
  H                                                -1.645638000000      1.460867000000      0.062581000000
  H                                                 0.529234000000      1.694360000000      1.038405000000
  H                                                 0.970182000000      2.101499000000     -0.472846000000
  H                                                 3.207414000000     -0.767126000000      0.181892000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:37:28 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.250904   -0.690050    0.276818
      2          6           0        0.189479    0.206848   -0.338320
      3          6           0       -1.218867   -0.343463   -0.063422
      4          8           0       -2.139786    0.610664    0.106878
      5          8           0        2.516052   -0.170687   -0.121294
      6          7           0        0.262737    1.614990    0.062074
      7          8           0       -1.475252   -1.516387   -0.031909
      8          1           0        0.312462    0.172012   -1.425027
      9          1           0        1.148785   -0.681214    1.370514
     10          1           0        1.101193   -1.714061   -0.069890
     11          1           0       -1.645638    1.460867    0.062581
     12          1           0        0.529234    1.694360    1.038405
     13          1           0        0.970182    2.101499   -0.472846
     14          1           0        3.207414   -0.767126    0.181892
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519685   0.000000
     3  C    2.517073   1.536831   0.000000
     4  O    3.635590   2.405565   1.336956   0.000000
     5  O    1.424370   2.366976   3.739361   4.726457   0.000000
     6  N    2.517101   1.465792   2.458951   2.604380   2.880919
     7  O    2.865322   2.415524   1.201032   2.232759   4.213004
     8  H    2.126053   1.094199   2.112972   2.924495   2.583209
     9  H    1.098489   2.151519   2.788552   3.752389   2.086995
    10  H    1.091429   2.143168   2.694672   3.992435   2.094391
    11  H    3.614180   2.258526   1.858391   0.984373   4.473862
    12  H    2.605040   2.055115   2.902172   3.027508   2.961545
    13  H    2.904057   2.053606   3.307174   3.497223   2.770583
    14  H    1.960327   3.213593   4.453272   5.522362   0.962103
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.582591   0.000000
     8  H    2.072710   2.826197   0.000000
     9  H    2.787409   3.090287   3.040145   0.000000
    10  H    3.435550   2.584296   2.452705   1.773077   0.000000
    11  H    1.914589   2.983622   2.776379   3.756062   4.200333
    12  H    1.015156   3.933501   2.903968   2.477396   3.629434
    13  H    1.011587   4.389040   2.249925   3.342659   3.839015
    14  H    3.789453   4.747048   3.441644   2.378688   2.322982
                   11         12         13         14
    11  H    0.000000
    12  H    2.395166   0.000000
    13  H    2.745834   1.626062   0.000000
    14  H    5.341376   3.737001   3.696336   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.81D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.250904   -0.690050    0.276818
      2          6           0        0.189479    0.206848   -0.338320
      3          6           0       -1.218867   -0.343463   -0.063422
      4          8           0       -2.139786    0.610664    0.106878
      5          8           0        2.516052   -0.170687   -0.121294
      6          7           0        0.262737    1.614990    0.062074
      7          8           0       -1.475252   -1.516387   -0.031909
      8          1           0        0.312462    0.172012   -1.425027
      9          1           0        1.148785   -0.681214    1.370514
     10          1           0        1.101193   -1.714061   -0.069890
     11          1           0       -1.645638    1.460867    0.062581
     12          1           0        0.529234    1.694360    1.038405
     13          1           0        0.970182    2.101499   -0.472846
     14          1           0        3.207414   -0.767126    0.181892
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.6422497           1.8564853           1.3850769
 Leave Link  202 at Thu Aug 12 21:37:29 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   219 symmetry adapted cartesian basis functions of A   symmetry.
 There are   205 symmetry adapted basis functions of A   symmetry.
   205 basis functions,   303 primitive gaussians,   219 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       322.5377908605 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:37:29 2021, MaxMem=  5368709120 cpu:               4.7 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   205 RedAO= T EigKep=  6.11D-05  NBF=   205
 NBsUse=   205 1.00D-06 EigRej= -1.00D+00 NBFU=   205
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   219   219   219   219   219 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 21:37:30 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:37:30 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer08_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:37:30 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368609234 LenY=  5368560832
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -398.496481137782    
 DIIS: error= 4.58D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -398.496481137782     IErMin= 1 ErrMin= 4.58D-03
 ErrMax= 4.58D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.95D-02 BMatP= 1.95D-02
 IDIUse=3 WtCom= 9.54D-01 WtEn= 4.58D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.454 Goal=   None    Shift=    0.000
 GapD=    0.454 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.23D-03 MaxDP=9.43D-02              OVMax= 2.00D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.22D-03    CP:  9.84D-01
 E= -398.515562137012     Delta-E=       -0.019080999230 Rises=F Damp=F
 DIIS: error= 1.29D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -398.515562137012     IErMin= 2 ErrMin= 1.29D-03
 ErrMax= 1.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-03 BMatP= 1.95D-02
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.29D-02
 Coeff-Com:  0.204D-01 0.980D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.201D-01 0.980D+00
 Gap=     0.417 Goal=   None    Shift=    0.000
 RMSDP=9.59D-04 MaxDP=2.80D-02 DE=-1.91D-02 OVMax= 9.43D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.01D-04    CP:  9.79D-01  1.15D+00
 E= -398.516418404665     Delta-E=       -0.000856267653 Rises=F Damp=F
 DIIS: error= 1.26D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -398.516418404665     IErMin= 3 ErrMin= 1.26D-03
 ErrMax= 1.26D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.89D-04 BMatP= 1.25D-03
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.26D-02
 Coeff-Com: -0.664D-01 0.482D+00 0.584D+00
 Coeff-En:   0.000D+00 0.101D+00 0.899D+00
 Coeff:     -0.656D-01 0.477D+00 0.588D+00
 Gap=     0.412 Goal=   None    Shift=    0.000
 RMSDP=1.88D-04 MaxDP=5.86D-03 DE=-8.56D-04 OVMax= 4.34D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.44D-04    CP:  9.78D-01  1.18D+00  9.49D-01
 E= -398.517081035833     Delta-E=       -0.000662631168 Rises=F Damp=F
 DIIS: error= 1.81D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -398.517081035833     IErMin= 4 ErrMin= 1.81D-04
 ErrMax= 1.81D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.41D-05 BMatP= 9.89D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.81D-03
 Coeff-Com: -0.175D-01 0.526D-01 0.139D+00 0.826D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.174D-01 0.525D-01 0.138D+00 0.826D+00
 Gap=     0.411 Goal=   None    Shift=    0.000
 RMSDP=8.20D-05 MaxDP=2.15D-03 DE=-6.63D-04 OVMax= 1.31D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.62D-05    CP:  9.77D-01  1.18D+00  1.00D+00  1.12D+00
 E= -398.517107827560     Delta-E=       -0.000026791728 Rises=F Damp=F
 DIIS: error= 1.00D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -398.517107827560     IErMin= 5 ErrMin= 1.00D-04
 ErrMax= 1.00D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.18D-06 BMatP= 2.41D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.00D-03
 Coeff-Com:  0.369D-02-0.502D-01-0.440D-01 0.296D+00 0.795D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.368D-02-0.502D-01-0.440D-01 0.296D+00 0.795D+00
 Gap=     0.411 Goal=   None    Shift=    0.000
 RMSDP=2.92D-05 MaxDP=5.67D-04 DE=-2.68D-05 OVMax= 7.87D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.27D-05    CP:  9.77D-01  1.18D+00  1.02D+00  1.19D+00  1.07D+00
 E= -398.517113322292     Delta-E=       -0.000005494732 Rises=F Damp=F
 DIIS: error= 4.28D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -398.517113322292     IErMin= 6 ErrMin= 4.28D-05
 ErrMax= 4.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.70D-07 BMatP= 5.18D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.341D-02-0.299D-01-0.348D-01 0.771D-01 0.391D+00 0.593D+00
 Coeff:      0.341D-02-0.299D-01-0.348D-01 0.771D-01 0.391D+00 0.593D+00
 Gap=     0.411 Goal=   None    Shift=    0.000
 RMSDP=8.06D-06 MaxDP=2.73D-04 DE=-5.49D-06 OVMax= 2.57D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.91D-06    CP:  9.77D-01  1.18D+00  1.03D+00  1.20D+00  1.10D+00
                    CP:  1.09D+00
 E= -398.517114147767     Delta-E=       -0.000000825475 Rises=F Damp=F
 DIIS: error= 8.61D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -398.517114147767     IErMin= 7 ErrMin= 8.61D-06
 ErrMax= 8.61D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.23D-08 BMatP= 9.70D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.119D-03 0.189D-02-0.534D-06-0.347D-01-0.534D-01 0.132D+00
 Coeff-Com:  0.954D+00
 Coeff:      0.119D-03 0.189D-02-0.534D-06-0.347D-01-0.534D-01 0.132D+00
 Coeff:      0.954D+00
 Gap=     0.411 Goal=   None    Shift=    0.000
 RMSDP=5.66D-06 MaxDP=2.19D-04 DE=-8.25D-07 OVMax= 1.12D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.86D-06    CP:  9.77D-01  1.18D+00  1.03D+00  1.20D+00  1.13D+00
                    CP:  1.26D+00  1.23D+00
 E= -398.517114241025     Delta-E=       -0.000000093258 Rises=F Damp=F
 DIIS: error= 2.36D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -398.517114241025     IErMin= 8 ErrMin= 2.36D-06
 ErrMax= 2.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.03D-09 BMatP= 5.23D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.222D-03 0.266D-02 0.274D-02-0.141D-01-0.399D-01-0.179D-01
 Coeff-Com:  0.212D+00 0.855D+00
 Coeff:     -0.222D-03 0.266D-02 0.274D-02-0.141D-01-0.399D-01-0.179D-01
 Coeff:      0.212D+00 0.855D+00
 Gap=     0.411 Goal=   None    Shift=    0.000
 RMSDP=1.53D-06 MaxDP=6.62D-05 DE=-9.33D-08 OVMax= 3.29D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.71D-07    CP:  9.77D-01  1.18D+00  1.03D+00  1.20D+00  1.13D+00
                    CP:  1.31D+00  1.31D+00  1.21D+00
 E= -398.517114247407     Delta-E=       -0.000000006383 Rises=F Damp=F
 DIIS: error= 1.04D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -398.517114247407     IErMin= 9 ErrMin= 1.04D-06
 ErrMax= 1.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.62D-10 BMatP= 4.03D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.834D-04 0.716D-03 0.948D-03-0.173D-02-0.831D-02-0.221D-01
 Coeff-Com: -0.265D-01 0.317D+00 0.740D+00
 Coeff:     -0.834D-04 0.716D-03 0.948D-03-0.173D-02-0.831D-02-0.221D-01
 Coeff:     -0.265D-01 0.317D+00 0.740D+00
 Gap=     0.411 Goal=   None    Shift=    0.000
 RMSDP=5.86D-07 MaxDP=4.22D-05 DE=-6.38D-09 OVMax= 1.24D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.20D-07    CP:  9.77D-01  1.18D+00  1.03D+00  1.20D+00  1.14D+00
                    CP:  1.32D+00  1.34D+00  1.34D+00  1.07D+00
 E= -398.517114248399     Delta-E=       -0.000000000991 Rises=F Damp=F
 DIIS: error= 2.49D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -398.517114248399     IErMin=10 ErrMin= 2.49D-07
 ErrMax= 2.49D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.02D-11 BMatP= 7.62D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.685D-05-0.152D-03-0.114D-03 0.130D-02 0.315D-02-0.273D-02
 Coeff-Com: -0.290D-01-0.378D-01 0.142D+00 0.923D+00
 Coeff:      0.685D-05-0.152D-03-0.114D-03 0.130D-02 0.315D-02-0.273D-02
 Coeff:     -0.290D-01-0.378D-01 0.142D+00 0.923D+00
 Gap=     0.411 Goal=   None    Shift=    0.000
 RMSDP=1.86D-07 MaxDP=7.57D-06 DE=-9.91D-10 OVMax= 5.29D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.47D-08    CP:  9.77D-01  1.18D+00  1.03D+00  1.20D+00  1.14D+00
                    CP:  1.32D+00  1.34D+00  1.38D+00  1.17D+00  1.14D+00
 E= -398.517114248491     Delta-E=       -0.000000000092 Rises=F Damp=F
 DIIS: error= 8.29D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -398.517114248491     IErMin=11 ErrMin= 8.29D-08
 ErrMax= 8.29D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.08D-12 BMatP= 5.02D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.941D-05-0.109D-03-0.122D-03 0.578D-03 0.172D-02 0.112D-02
 Coeff-Com: -0.625D-02-0.414D-01-0.239D-01 0.277D+00 0.792D+00
 Coeff:      0.941D-05-0.109D-03-0.122D-03 0.578D-03 0.172D-02 0.112D-02
 Coeff:     -0.625D-02-0.414D-01-0.239D-01 0.277D+00 0.792D+00
 Gap=     0.411 Goal=   None    Shift=    0.000
 RMSDP=5.44D-08 MaxDP=2.05D-06 DE=-9.21D-11 OVMax= 1.78D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.74D-08    CP:  9.77D-01  1.18D+00  1.03D+00  1.20D+00  1.14D+00
                    CP:  1.32D+00  1.35D+00  1.39D+00  1.21D+00  1.21D+00
                    CP:  1.14D+00
 E= -398.517114248521     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 3.86D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -398.517114248521     IErMin=12 ErrMin= 3.86D-08
 ErrMax= 3.86D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-12 BMatP= 7.08D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.192D-05-0.105D-04-0.209D-04-0.242D-04 0.182D-04 0.687D-03
 Coeff-Com:  0.249D-02-0.606D-02-0.258D-01-0.564D-01 0.228D+00 0.857D+00
 Coeff:      0.192D-05-0.105D-04-0.209D-04-0.242D-04 0.182D-04 0.687D-03
 Coeff:      0.249D-02-0.606D-02-0.258D-01-0.564D-01 0.228D+00 0.857D+00
 Gap=     0.411 Goal=   None    Shift=    0.000
 RMSDP=2.17D-08 MaxDP=7.71D-07 DE=-3.04D-11 OVMax= 8.98D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.20D-08    CP:  9.77D-01  1.18D+00  1.03D+00  1.20D+00  1.14D+00
                    CP:  1.32D+00  1.35D+00  1.39D+00  1.22D+00  1.23D+00
                    CP:  1.21D+00  1.27D+00
 E= -398.517114248513     Delta-E=        0.000000000008 Rises=F Damp=F
 DIIS: error= 1.97D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -398.517114248521     IErMin=13 ErrMin= 1.97D-08
 ErrMax= 1.97D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-13 BMatP= 1.02D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.590D-06 0.987D-05 0.907D-05-0.742D-04-0.205D-03 0.545D-04
 Coeff-Com:  0.146D-02 0.312D-02-0.452D-02-0.512D-01-0.323D-01 0.247D+00
 Coeff-Com:  0.836D+00
 Coeff:     -0.590D-06 0.987D-05 0.907D-05-0.742D-04-0.205D-03 0.545D-04
 Coeff:      0.146D-02 0.312D-02-0.452D-02-0.512D-01-0.323D-01 0.247D+00
 Coeff:      0.836D+00
 Gap=     0.411 Goal=   None    Shift=    0.000
 RMSDP=7.56D-09 MaxDP=2.47D-07 DE= 7.73D-12 OVMax= 4.01D-07

 SCF Done:  E(RM11) =  -398.517114249     A.U. after   13 cycles
            NFock= 13  Conv=0.76D-08     -V/T= 2.0106
 KE= 3.943543742044D+02 PE=-1.577557786289D+03 EE= 4.621485069760D+02
 Leave Link  502 at Thu Aug 12 21:38:12 2021, MaxMem=  5368709120 cpu:             335.4 elap:              42.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   205
 NBasis=   205 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    205 NOA=    28 NOB=    28 NVA=   177 NVB=   177

 **** Warning!!: The largest alpha MO coefficient is  0.29548154D+02

 Leave Link  801 at Thu Aug 12 21:38:12 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4250 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.26D-14 8.33D-09 XBig12= 1.00D+00 2.31D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.26D-14 8.33D-09 XBig12= 1.89D-01 6.11D-02.
     11 vectors produced by pass  2 Test12= 8.26D-14 8.33D-09 XBig12= 2.58D-02 3.27D-02.
     11 vectors produced by pass  3 Test12= 8.26D-14 8.33D-09 XBig12= 2.05D-03 8.03D-03.
     11 vectors produced by pass  4 Test12= 8.26D-14 8.33D-09 XBig12= 1.15D-04 1.70D-03.
     11 vectors produced by pass  5 Test12= 8.26D-14 8.33D-09 XBig12= 3.91D-06 3.26D-04.
     11 vectors produced by pass  6 Test12= 8.26D-14 8.33D-09 XBig12= 1.07D-07 5.30D-05.
     11 vectors produced by pass  7 Test12= 8.26D-14 8.33D-09 XBig12= 2.48D-09 7.92D-06.
     11 vectors produced by pass  8 Test12= 8.26D-14 8.33D-09 XBig12= 5.57D-11 8.67D-07.
     10 vectors produced by pass  9 Test12= 8.26D-14 8.33D-09 XBig12= 1.01D-12 1.21D-07.
      4 vectors produced by pass 10 Test12= 8.26D-14 8.33D-09 XBig12= 1.51D-14 1.70D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.648191D+02
      2 -0.196378D+00  0.638136D+02
      3 -0.598128D+00 -0.138129D+00  0.476750D+02
 Isotropic polarizability for W=    0.088559       58.77 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.277762D+02 -0.250786D+01 -0.124440D+01
      2  -0.187285D+02  0.928170D+00 -0.193815D+01
      3  -0.904765D+01  0.157969D+01  0.318255D+01
      4   0.811862D+00 -0.931605D+01 -0.330957D+01
      5   0.278956D+01 -0.526260D+01  0.234785D+02
      6  -0.218737D+01  0.186020D+01  0.564873D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.485850D+00 -0.176045D+01 -0.111747D+01
      2   0.225811D+01 -0.761707D+00  0.106308D+02
      3   0.538715D+01  0.512212D+01  0.168815D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.195303D+01  0.379835D+01 -0.406904D+01
      2  -0.403396D+01 -0.112220D+01  0.325262D+02
      3   0.331972D+01 -0.941250D+01  0.307523D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.250359D-01 -0.153866D+00 -0.116109D+01
      2  -0.153866D+00  0.320600D+00 -0.104903D+01
      3  -0.116109D+01 -0.104903D+01  0.145028D+00
 OR G Eigenvalues:    -1.5130     0.3166     1.6370  Iso=    -0.1469
 Eigenvectors:
   (1)   0.580136   0.440619   0.685052
   (2)  -0.675151   0.730618   0.101825
   (3)  -0.455646  -0.521586   0.721343
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1469 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =      -70.86 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   21115 ScalPx= 5.67D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21115 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.10D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.38D-14 2.78D-09 XBig12= 1.00D+00 3.97D-01.
     30 vectors produced by pass  1 Test12= 1.38D-14 2.78D-09 XBig12= 1.10D-01 4.11D-02.
     30 vectors produced by pass  2 Test12= 1.38D-14 2.78D-09 XBig12= 1.74D-03 5.48D-03.
     30 vectors produced by pass  3 Test12= 1.38D-14 2.78D-09 XBig12= 2.37D-05 6.02D-04.
     30 vectors produced by pass  4 Test12= 1.38D-14 2.78D-09 XBig12= 3.12D-07 6.01D-05.
     30 vectors produced by pass  5 Test12= 1.38D-14 2.78D-09 XBig12= 2.74D-09 5.56D-06.
     30 vectors produced by pass  6 Test12= 1.38D-14 2.78D-09 XBig12= 1.96D-11 4.40D-07.
     30 vectors produced by pass  7 Test12= 1.38D-14 2.78D-09 XBig12= 1.41D-13 3.73D-08.
      1 vectors produced by pass  8 Test12= 1.38D-14 2.78D-09 XBig12= 1.06D-15 3.51D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21115 ScalPx= 2.67D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21115 ScalPx= 2.67D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21115 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.58D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.648191D+02 -0.196378D+00 -0.598128D+00
      2  -0.196378D+00  0.638136D+02 -0.138129D+00
      3  -0.598128D+00 -0.138129D+00  0.476750D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.485850D+00 -0.176045D+01 -0.111747D+01
      2   0.225811D+01 -0.761707D+00  0.106308D+02
      3   0.538715D+01  0.512212D+01  0.168815D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.277762D+02 -0.250786D+01 -0.124440D+01
      2  -0.187285D+02  0.928170D+00 -0.193815D+01
      3  -0.904765D+01  0.157969D+01  0.318255D+01
      4   0.811862D+00 -0.931605D+01 -0.330957D+01
      5   0.278956D+01 -0.526260D+01  0.234785D+02
      6  -0.218737D+01  0.186020D+01  0.564873D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.626383D+00 -0.220772D+01  0.108149D+01 -0.300677D+01  0.143209D+01
      2  -0.220772D+01  0.234393D+01 -0.346404D+00  0.143209D+01  0.418623D+01
      3   0.108149D+01 -0.346404D+00  0.149459D+01 -0.729347D-01  0.176446D+01
                 6             7             8             9            10 
      1  -0.729347D-01  0.181468D+01 -0.282333D+00  0.114555D+01  0.131719D+01
      2   0.176446D+01 -0.282333D+00  0.198513D+01  0.809604D+00  0.311761D+01
      3   0.663046D+00  0.114555D+01  0.809604D+00 -0.766338D+01 -0.803211D+00
                11            12            13            14            15 
      1   0.311761D+01 -0.803211D+00  0.283832D+01 -0.336589D+00  0.899979D-01
      2  -0.178846D+01  0.506952D+00 -0.336589D+00 -0.301700D+01 -0.890917D+00
      3   0.506952D+00 -0.538527D+00  0.899979D-01 -0.890917D+00  0.382536D+00
                16            17            18            19            20 
      1  -0.612176D+00  0.100875D+01 -0.913644D+00 -0.230105D+01 -0.159436D+01
      2   0.100875D+01 -0.134223D+01 -0.126249D+00 -0.159436D+01  0.179847D+01
      3  -0.913644D+00 -0.126249D+00  0.701847D+01 -0.572321D-01 -0.270679D-01
                21            22            23            24            25 
      1  -0.572321D-01  0.521235D-01  0.175616D+01  0.246299D-01  0.634032D-01
      2  -0.270679D-01  0.175616D+01  0.597142D+01  0.630958D-02  0.513584D-01
      3  -0.294990D+00  0.246299D-01  0.630958D-02  0.620590D+00 -0.233464D+00
                26            27            28            29            30 
      1   0.513584D-01 -0.233464D+00 -0.775247D+01  0.148352D+01  0.367640D+00
      2   0.382069D+00  0.319361D+00  0.148352D+01 -0.277610D+01 -0.181845D+00
      3   0.319361D+00 -0.501406D+00  0.367640D+00 -0.181845D+00 -0.926311D+00
                31            32            33            34            35 
      1  -0.203915D+01 -0.331560D+01 -0.515882D-01  0.856317D+00 -0.111751D+00
      2  -0.331560D+01 -0.456867D+00  0.175336D+00 -0.111751D+00  0.119693D+00
      3  -0.515882D-01  0.175336D+00  0.510718D+00 -0.161611D+01  0.128306D+01
                36            37            38            39            40 
      1  -0.161611D+01  0.185281D+01  0.272122D+01 -0.153519D+01  0.580045D+01
      2   0.128306D+01  0.272122D+01 -0.973140D+00  0.515414D+00 -0.461403D+00
      3   0.651762D+00 -0.153519D+01  0.515414D+00 -0.495418D+00  0.556786D+00
                41            42            43            44            45 
      1  -0.461403D+00  0.556786D+00 -0.349497D+01  0.709776D+00  0.920556D+00
      2   0.222334D+01 -0.107679D+01  0.709776D+00 -0.103058D+01  0.574248D+00
      3  -0.107679D+01  0.510655D+00  0.920556D+00  0.574248D+00 -0.690513D+00
                46            47            48            49            50 
      1  -0.235539D+01 -0.186076D+01  0.101265D+01 -0.126083D+01 -0.153147D+01
      2  -0.186076D+01 -0.159018D+01  0.586119D-01 -0.153147D+01  0.520811D+01
      3   0.101265D+01  0.586119D-01 -0.188562D+01  0.330957D+00  0.713598D+00
                51            52            53            54            55 
      1   0.330957D+00  0.119314D+01  0.327272D+00 -0.195956D+01 -0.227769D+01
      2   0.713598D+00  0.327272D+00  0.683663D+00 -0.620154D+00 -0.322424D+01
      3  -0.606606D+00 -0.195956D+01 -0.620154D+00 -0.410652D+01 -0.374771D-02
                56            57            58            59            60 
      1  -0.322424D+01 -0.374771D-02 -0.408703D+01 -0.241959D+01 -0.650677D-02
      2  -0.291568D+01 -0.140429D+00 -0.241959D+01 -0.129711D+02  0.251595D-01
      3  -0.140429D+00 -0.419847D+00 -0.650677D-02  0.251595D-01 -0.248178D+01
                61            62            63            64            65 
      1  -0.465278D-01  0.539093D-01 -0.100609D+01  0.414982D+00 -0.569902D+00
      2   0.539093D-01  0.226701D+00 -0.311308D+01 -0.569902D+00  0.476646D+00
      3  -0.100609D+01 -0.311308D+01  0.125259D+00 -0.108932D+01 -0.774833D-01
                66            67            68            69            70 
      1  -0.108932D+01 -0.834395D+00  0.362917D+00  0.592213D-01 -0.189699D+01
      2  -0.774833D-01  0.362917D+00  0.602748D+00 -0.111241D+01 -0.229420D+00
      3   0.867688D+00  0.592213D-01 -0.111241D+01 -0.213315D+00  0.745861D+00
                71            72            73            74            75 
      1  -0.229420D+00  0.745861D+00 -0.457901D+00  0.186063D+00  0.121954D+01
      2  -0.144804D+01  0.219496D+00  0.186063D+00 -0.320637D+00  0.121017D+00
      3   0.219496D+00 -0.846185D+01  0.121954D+01  0.121017D+00 -0.829812D+00
                76            77            78            79            80 
      1   0.553049D+00 -0.247263D+00  0.831711D-02  0.197603D+01 -0.197835D+00
      2  -0.247263D+00 -0.816217D+00  0.107175D+01 -0.197835D+00  0.126845D+01
      3   0.831711D-02  0.107175D+01  0.445314D-01 -0.225406D+00 -0.111650D+01
                81            82            83            84            85 
      1  -0.225406D+00 -0.672931D+00 -0.936364D+00 -0.607870D+00 -0.145823D+01
      2  -0.111650D+01 -0.936364D+00 -0.332461D+00  0.384953D-01 -0.831507D-01
      3   0.882093D+01 -0.607870D+00  0.384953D-01 -0.128791D+00 -0.364366D-01
                86            87            88            89            90 
      1  -0.831507D-01 -0.364366D-01 -0.112462D+01  0.885653D-01 -0.192230D+00
      2  -0.792582D+01 -0.119400D+01  0.885653D-01 -0.177478D+01 -0.145580D+01
      3  -0.119400D+01 -0.126422D+01 -0.192230D+00 -0.145580D+01 -0.210979D+00
                91            92            93            94            95 
      1   0.242863D+01  0.174032D+01 -0.126502D+00  0.436630D+01  0.154668D+00
      2   0.174032D+01  0.732082D+00  0.997692D-01  0.154668D+00  0.459060D+01
      3  -0.126502D+00  0.997692D-01 -0.347710D+00 -0.703245D-01  0.928843D-01
                96            97            98            99           100 
      1  -0.703245D-01 -0.293577D+00 -0.889914D-01 -0.566950D+00  0.303002D+00
      2   0.928843D-01 -0.889914D-01 -0.102263D+00  0.501284D+00  0.780131D+00
      3   0.832938D+00 -0.566950D+00  0.501284D+00  0.506779D-01  0.775245D+00
               101           102           103           104           105 
      1   0.780131D+00  0.775245D+00  0.544527D+00  0.355668D+00  0.393445D+00
      2   0.568858D+00  0.655092D+00  0.355668D+00  0.964684D+00  0.784748D+00
      3   0.655092D+00  0.110598D+01  0.393445D+00  0.784748D+00  0.660878D+00
               106           107           108           109           110 
      1   0.151611D+01  0.483243D+00  0.147420D+01  0.298892D+01  0.255715D+01
      2   0.483243D+00  0.219519D+01  0.189896D+01  0.255715D+01  0.299550D+01
      3   0.147420D+01  0.189896D+01  0.595594D+01 -0.109607D+01 -0.839326D+00
               111           112           113           114           115 
      1  -0.109607D+01  0.268036D+01  0.201580D+01 -0.709525D+00 -0.204861D+01
      2  -0.839326D+00  0.201580D+01  0.324667D+01 -0.893867D+00 -0.111839D+01
      3   0.129013D+01 -0.709525D+00 -0.893867D+00  0.101430D+01  0.126988D+01
               116           117           118           119           120 
      1  -0.111839D+01  0.126988D+01  0.713829D+01 -0.219267D+01  0.862572D+00
      2  -0.182660D+01  0.129415D+01 -0.219267D+01  0.178117D+01 -0.382799D+00
      3   0.129415D+01 -0.135917D+01  0.862572D+00 -0.382799D+00  0.110863D+01
               121           122           123           124           125 
      1  -0.414871D+01  0.231778D+01 -0.516038D+00  0.209779D+01 -0.694158D+00
      2   0.231778D+01 -0.180682D+01  0.533747D+00 -0.694158D+00  0.663597D+00
      3  -0.516038D+00  0.533747D+00 -0.674279D+00  0.115741D+01 -0.468383D+00
               126 
      1   0.115741D+01
      2  -0.468383D+00
      3   0.370784D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.137908D+01  0.487393D+00  0.236781D+01 -0.752139D+00  0.674854D+01
      2   0.222503D+01 -0.108794D+01  0.772099D+00 -0.245536D+00  0.811262D+00
      3   0.310267D+01  0.385384D-01 -0.543335D-01  0.614802D+01 -0.667805D+01
                 6             7             8             9            10 
      1  -0.126356D+01  0.136480D+01  0.304230D+01 -0.696892D+01 -0.150546D+01
      2  -0.326159D+00 -0.181938D+01  0.957297D+00 -0.580973D+01  0.121057D+01
      3  -0.209116D+01 -0.222296D+01 -0.253066D+01 -0.222348D+01  0.499322D+00
                11            12            13            14            15 
      1   0.584891D+00 -0.695642D+00  0.711812D+00  0.156856D+00 -0.599973D+00
      2  -0.322250D+00  0.364291D+01  0.220928D+01 -0.176772D+01  0.105581D+01
      3  -0.525966D+01  0.426815D+00  0.248202D-01  0.601893D+00  0.665469D+00
                16            17            18            19            20 
      1  -0.106460D+01  0.460754D+01  0.335925D+00  0.802103D+00  0.629456D+00
      2  -0.279378D+01  0.289528D+00  0.375814D+00 -0.439126D+01 -0.232470D+00
      3  -0.853886D+00  0.110742D+01  0.541027D+00 -0.547574D+01  0.597738D-01
                21            22            23            24            25 
      1   0.572505D+00  0.185908D+01  0.112683D+00  0.913040D+01 -0.144840D+00
      2  -0.574544D+01 -0.759281D+00  0.116084D+01 -0.231446D+01 -0.178081D+02
      3  -0.113557D+00 -0.406945D+00  0.948013D+01 -0.156943D+01  0.190151D+01
                26            27            28            29            30 
      1   0.930859D+01  0.586468D-02 -0.746375D+00 -0.580678D+00  0.272919D+01
      2  -0.199037D+01  0.326299D+01  0.495409D+00  0.246920D+00  0.753666D+01
      3  -0.198446D+01  0.105726D+01 -0.596276D+01 -0.148358D+02 -0.561396D-02
                31            32            33            34            35 
      1  -0.240660D+00 -0.454275D+00 -0.397320D+01  0.707318D+00  0.205720D+01
      2   0.884153D+00 -0.235307D+00 -0.699799D+00  0.523520D+01 -0.997710D+00
      3  -0.106770D+02 -0.732143D+01  0.245978D+00  0.180277D+00  0.176626D+01
                36            37            38            39            40 
      1  -0.472497D+00 -0.558118D+00 -0.632898D+00 -0.167697D+01  0.784486D+00
      2  -0.200792D+01 -0.587659D+01  0.150857D+01  0.436037D+01  0.203143D+01
      3   0.188188D+01 -0.116702D+02 -0.322897D+01 -0.713998D+00  0.396293D+01
                41            42            43            44            45 
      1  -0.756627D+00 -0.195508D+01  0.633293D-01  0.315409D+01 -0.540416D-01
      2  -0.239408D+01  0.352861D+01 -0.349307D+01  0.194576D+01 -0.356558D+01
      3  -0.857696D+01  0.228372D+01 -0.670167D+00  0.360307D+01 -0.201993D+01
                46            47            48            49            50 
      1  -0.245469D+01 -0.100076D+01  0.468681D+01 -0.208905D+01 -0.334742D+01
      2   0.916788D-01  0.150699D+01  0.373256D+01  0.261920D+00  0.743202D+00
      3  -0.515807D+01 -0.109497D+02  0.151243D+01  0.199301D+01 -0.219003D+01
                51            52            53            54            55 
      1  -0.323660D+01  0.524476D+01  0.637921D+01  0.765594D+01  0.293261D+00
      2  -0.680205D+00 -0.361897D+01 -0.536217D+00  0.321693D+00  0.208941D+00
      3   0.720415D+00  0.303546D+01  0.931076D+00 -0.465534D+01  0.292315D+00
                56            57            58            59            60 
      1   0.234428D+00 -0.310462D+01 -0.923966D-01  0.879483D+00 -0.110243D+02
      2   0.165284D+00  0.515372D+01 -0.846075D+00 -0.609312D+00  0.471942D+01
      3  -0.499044D+01 -0.116948D+00  0.975018D+01 -0.183385D+02  0.467525D+00
                61            62            63            64            65 
      1  -0.453132D+00  0.115155D+01  0.388406D+00  0.400639D+00 -0.712213D+00
      2   0.230555D+01  0.452777D+01 -0.120478D+01  0.780669D+00 -0.106746D+00
      3  -0.124255D+01  0.497252D+00 -0.436353D+01  0.351531D+00 -0.665209D+00
                66            67            68            69            70 
      1   0.156084D+00 -0.599486D+00 -0.473269D+00 -0.176448D+00  0.179826D+00
      2   0.450571D+00 -0.278176D+00  0.362043D+00 -0.386986D+00 -0.246216D+01
      3  -0.244006D+00  0.110291D+01 -0.186635D+00  0.257485D+00 -0.146621D+00
                71            72            73            74            75 
      1   0.282625D+01  0.103009D+01  0.103403D+01 -0.504234D+00 -0.323933D+00
      2  -0.954146D-01 -0.167722D+01  0.217132D+01  0.377206D+00 -0.639881D+00
      3   0.254255D+00  0.335958D+00  0.522415D+00 -0.692591D+00 -0.115622D+01
                76            77            78            79            80 
      1  -0.401064D+00  0.527666D+00 -0.250242D+00 -0.580532D+00  0.261519D+01
      2  -0.541509D-01  0.155569D+01 -0.208193D+00 -0.463847D+01 -0.939321D+00
      3   0.533024D+00  0.909932D+00 -0.116033D+01 -0.153409D+01 -0.112047D+01
                81            82            83            84            85 
      1   0.814713D+01 -0.102029D+01 -0.263914D-01 -0.280374D+00 -0.218217D+00
      2   0.953112D+01 -0.597656D+00  0.237764D+00  0.525413D+00 -0.308422D+00
      3   0.165551D+01  0.261893D+01  0.154257D+01  0.691129D+00  0.513141D+01
                86            87            88            89            90 
      1  -0.398694D+01 -0.402303D+01 -0.347164D+00 -0.135797D+01 -0.107666D+01
      2  -0.719230D+00 -0.111176D+01 -0.119856D+01 -0.125309D+01 -0.407559D+00
      3   0.964079D+01  0.180368D+01  0.190778D+01  0.205052D+01  0.195873D+01
                91            92            93            94            95 
      1   0.641606D+00  0.386300D+00  0.862716D+00  0.342690D+00  0.681060D+00
      2  -0.615412D+00 -0.528078D+00 -0.147517D+01 -0.425948D+00 -0.581599D+00
      3   0.859233D+01  0.921176D+01 -0.550087D-01  0.120051D+02  0.145852D+02
                96            97            98            99           100 
      1  -0.106701D+01  0.841715D+00  0.106318D+01  0.207006D+00 -0.127965D+01
      2  -0.217228D+01 -0.213557D+01 -0.145210D+01  0.961162D-01 -0.480775D+00
      3   0.329894D+00 -0.498293D+00 -0.886883D+00 -0.258284D+00  0.620513D+00
               101           102           103           104           105 
      1  -0.661817D+00 -0.273220D+01 -0.332836D+00 -0.176698D+01 -0.191189D+01
      2   0.120171D+00  0.407287D+00  0.174293D+00 -0.101643D+00  0.346157D+00
      3   0.849043D+00  0.100437D+01  0.172240D+01  0.551229D+00  0.513880D+00
               106           107           108           109           110 
      1  -0.368501D+01 -0.169375D+01 -0.121048D+02  0.239375D+01  0.184565D+01
      2  -0.189956D+01  0.521590D+00  0.763675D+00  0.563431D+00 -0.220785D+00
      3   0.300334D+01  0.960905D-01  0.299298D+01  0.641989D+01  0.323815D+01
               111           112           113           114           115 
      1  -0.344563D+01  0.169892D+01  0.168368D+01 -0.231282D+01 -0.274068D+01
      2   0.963271D+00 -0.958705D-01 -0.957075D-01  0.782813D+00 -0.670788D+00
      3  -0.222222D+01  0.608027D+01  0.235546D+01 -0.128245D+01 -0.474441D+01
               116           117           118           119           120 
      1  -0.149726D+01  0.244954D+01  0.620119D+00 -0.491244D-01  0.884250D+00
      2   0.397133D+00 -0.729262D+00  0.391529D+01 -0.172999D+01  0.416121D+01
      3  -0.143591D+01  0.222685D+01  0.534545D+01 -0.622590D+01  0.111665D+01
               121           122           123           124           125 
      1  -0.371784D+00  0.608919D-01 -0.118183D+01  0.515640D+00  0.252368D+00
      2  -0.254762D+01  0.187156D+01 -0.253296D+01  0.258527D+01 -0.127520D+01
      3  -0.495774D+01  0.506728D+01 -0.148353D+01  0.188461D+01 -0.234756D+01
               126 
      1   0.387507D+00
      2   0.134949D+01
      3   0.870375D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.149579D+02 -0.960934D+00 -0.841538D+00 -0.844337D+01  0.129423D+02
      2   0.811775D+01 -0.234613D+01 -0.450334D+01  0.413012D+01 -0.181230D+02
      3   0.684013D+01  0.330706D+01  0.534488D+01  0.431326D+01  0.518070D+01
      4  -0.459398D+01  0.137778D+01 -0.189889D+01  0.684103D+01  0.667547D+01
      5   0.444932D+01 -0.182387D+01 -0.239134D+01  0.601999D+00  0.398866D+01
      6  -0.394226D+01  0.210563D+01 -0.313675D+01  0.896206D+00 -0.610155D+01
                 6             7             8             9            10 
      1   0.218718D+01  0.626766D+01  0.146095D+01  0.165425D+02 -0.341798D+01
      2  -0.573097D+01 -0.488603D+01 -0.438306D+01  0.292833D+01  0.500385D+01
      3   0.354379D+01 -0.138163D+01  0.292211D+01 -0.194708D+02 -0.158587D+01
      4   0.345244D+01 -0.468573D+00  0.510372D+01  0.717069D+00  0.909375D+00
      5  -0.287300D+00  0.300477D+01  0.206605D+01 -0.144708D+02 -0.600337D+00
      6   0.404344D+00 -0.121156D+01 -0.126216D+01  0.853890D+01  0.120696D+01
                11            12            13            14            15 
      1   0.176205D+01 -0.107205D+01  0.157540D+01  0.352099D+01  0.976642D+00
      2  -0.144173D+01  0.127426D+00 -0.440120D+00 -0.728468D+01 -0.833939D+00
      3  -0.320318D+00  0.944627D+00 -0.113528D+01  0.376370D+01 -0.142703D+00
      4   0.187774D+01  0.428366D+00 -0.663545D+01 -0.127068D+00 -0.112317D+01
      5   0.785565D+00  0.748375D+00  0.271894D-01 -0.587017D+00  0.102052D+01
      6  -0.169498D+01  0.268249D+00 -0.221769D+01  0.112656D+00 -0.315872D+01
                16            17            18            19            20 
      1  -0.509176D+01  0.114059D+01  0.647955D+01 -0.468175D+01  0.906596D+01
      2   0.432696D+00 -0.391020D+01  0.104605D+02  0.416525D+00 -0.939130D+01
      3   0.465906D+01  0.276961D+01 -0.169401D+02  0.426523D+01  0.325346D+00
      4  -0.216294D+01 -0.124997D+01  0.902159D+00  0.244904D+01 -0.118239D+02
      5  -0.130162D+01 -0.339905D+00  0.721131D+01 -0.305208D+00 -0.143610D+01
      6   0.425608D+00  0.105070D+01  0.977863D+00 -0.412665D+00  0.159705D+00
                21            22            23            24            25 
      1  -0.804122D+00  0.392530D-01  0.812100D+01  0.269820D-01  0.156311D+01
      2  -0.147637D+01 -0.363420D+01 -0.191779D+02  0.596959D+00 -0.202100D+01
      3   0.228049D+01  0.359494D+01  0.110569D+02 -0.623941D+00  0.457889D+00
      4  -0.657938D+00 -0.205000D+02 -0.227469D+02  0.136956D+00 -0.103874D+00
      5  -0.681171D+01 -0.155460D+01 -0.710259D+00 -0.203512D+01  0.170177D+01
      6   0.981520D+00 -0.522649D+00 -0.116202D+01 -0.139496D+02 -0.254521D+00
                26            27            28            29            30 
      1  -0.202455D+01 -0.469057D+01  0.415025D+02 -0.728635D+01 -0.435676D+00
      2   0.131391D+01 -0.644581D+01 -0.251344D+02  0.118394D+01  0.989042D+00
      3   0.710642D+00  0.111364D+02 -0.163681D+02  0.610241D+01 -0.553366D+00
      4   0.225161D+01 -0.224163D+01 -0.193254D+02  0.176787D+02  0.763644D+00
      5  -0.156896D+01  0.290710D+01 -0.157927D+01  0.356192D+00  0.140138D+02
      6   0.325619D+01 -0.440046D-01  0.514024D+00 -0.449994D+00 -0.470960D+01
                31            32            33            34            35 
      1   0.434392D+01  0.863042D+01 -0.812447D+00 -0.121694D+01  0.236888D+00
      2  -0.620757D+01 -0.182179D+01  0.316058D+00  0.165727D+01  0.310301D+00
      3   0.186364D+01 -0.680863D+01  0.496390D+00 -0.440334D+00 -0.547189D+00
      4   0.147043D+02 -0.511909D+01 -0.103947D+01  0.114476D+01 -0.126199D+01
      5  -0.742899D+00 -0.128131D+01 -0.328706D+01  0.134630D+02 -0.616581D+01
      6  -0.840557D+00  0.773544D+00  0.803053D+01 -0.199394D+01  0.567892D+01
                36            37            38            39            40 
      1   0.465154D+01  0.153561D+02  0.146331D+02 -0.660713D+01  0.310377D+02
      2  -0.750038D+01 -0.111870D+02 -0.593511D+01  0.639111D+01 -0.160301D+02
      3   0.284885D+01 -0.416915D+01 -0.869800D+01  0.216021D+00 -0.150075D+02
      4  -0.548488D+01  0.174614D+02  0.226555D+01  0.373779D+01 -0.267556D+01
      5  -0.359565D+01 -0.107082D+02  0.337915D+01  0.865567D+01  0.365867D+01
      6   0.111099D+01  0.230359D+01 -0.742365D+00  0.115964D+01 -0.746139D+00
                41            42            43            44            45 
      1  -0.515302D+01  0.280527D+01 -0.180990D+02  0.340897D+01  0.135623D+00
      2   0.524147D+01  0.261794D+00  0.965293D+01 -0.140122D+01 -0.630989D+01
      3  -0.884541D-01 -0.306707D+01  0.844604D+01 -0.200776D+01  0.617427D+01
      4   0.140763D+02 -0.577351D+01  0.657403D+01 -0.675675D+01  0.284086D+01
      5  -0.513754D+01  0.506984D+01  0.951190D+01  0.370348D+01 -0.685251D+01
      6   0.158874D+01  0.363986D+01 -0.550164D+00  0.342648D+01  0.102868D+01
                46            47            48            49            50 
      1   0.121394D+02  0.774198D+00  0.151897D+01  0.162758D+01 -0.173451D+02
      2  -0.115776D+02 -0.503044D+01  0.133132D+01 -0.536286D+01  0.271571D+02
      3  -0.561851D+00  0.425624D+01 -0.285028D+01  0.373528D+01 -0.981203D+01
      4  -0.904048D+01 -0.464623D+01  0.307999D+01  0.933997D+00 -0.484345D+01
      5   0.178954D+01  0.123525D+01  0.143528D+01  0.936951D+00  0.632017D+00
      6   0.451760D+01  0.227553D+01 -0.816880D+01  0.297826D+01  0.460553D+01
                51            52            53            54            55 
      1  -0.112297D+01  0.249833D-01  0.540113D+00  0.233268D+00  0.111922D+02
      2   0.351404D+01  0.286278D+01  0.400406D+01  0.332710D+00 -0.200171D+01
      3  -0.239107D+01 -0.288777D+01 -0.454417D+01 -0.565978D+00 -0.919051D+01
      4   0.170362D+01  0.431646D+01  0.231230D+01 -0.813472D+01  0.173383D+02
      5  -0.222960D+01  0.132296D+01 -0.290407D+01 -0.368922D+01  0.855846D+00
      6   0.340018D+01 -0.938014D+01 -0.456975D+00 -0.120775D+02  0.504735D+00
                56            57            58            59            60 
      1   0.475910D+01 -0.360261D+00  0.851462D+01 -0.221213D+02 -0.208090D+00
      2   0.334213D+01  0.566250D+00  0.222130D+01  0.418695D+02 -0.342339D+00
      3  -0.810123D+01 -0.205989D+00 -0.107359D+02 -0.197482D+02  0.550429D+00
      4   0.222382D+02  0.477855D+00  0.236292D+02  0.457533D+02  0.736072D+00
      5   0.803808D+00  0.807410D+01  0.104521D+01  0.157706D+01  0.924052D+01
      6   0.570363D+00  0.422368D+01  0.919308D+00  0.745853D+00  0.175091D+02
                61            62            63            64            65 
      1  -0.903360D-01  0.349828D+00 -0.416245D+01  0.837236D+00 -0.715528D-01
      2   0.630288D+00 -0.894420D+00  0.252032D+01 -0.387931D+01  0.937674D-01
      3  -0.539952D+00  0.544592D+00  0.164212D+01  0.304208D+01 -0.222146D-01
      4  -0.281180D+00 -0.841217D+00  0.107333D+02 -0.444641D+00  0.129535D+01
      5   0.880541D+01  0.107892D+02 -0.422722D+00 -0.181851D+01 -0.330630D+00
      6   0.372426D+01  0.140508D+02 -0.146488D+00 -0.517055D+00  0.336747D+00
                66            67            68            69            70 
      1  -0.283656D+00 -0.132079D-01 -0.372142D+01  0.556124D-01  0.996262D+00
      2   0.139984D+01  0.678932D+00  0.175295D+00 -0.866505D+00  0.234145D+01
      3  -0.111619D+01 -0.665724D+00  0.354613D+01  0.810892D+00 -0.333771D+01
      4  -0.427434D+00  0.263356D+01 -0.236189D+00 -0.521532D+00  0.735360D+00
      5   0.624041D+01  0.783279D-01 -0.890573D+00 -0.476230D+00  0.514346D+01
      6   0.214655D+00 -0.120397D+00  0.980473D-01  0.628667D+01  0.230910D+00
                71            72            73            74            75 
      1   0.138136D+01 -0.165488D+02 -0.102794D+01  0.236502D+00  0.507282D+01
      2  -0.571874D+00 -0.159384D+02 -0.263618D+01 -0.228102D-01 -0.126982D+01
      3  -0.809483D+00  0.324872D+02  0.366412D+01 -0.213692D+00 -0.380300D+01
      4  -0.517966D+00 -0.358886D+00  0.766798D+00  0.754332D+00 -0.148092D+01
      5   0.281915D+00 -0.692574D+01  0.213839D+01 -0.240676D+00  0.422383D+01
      6   0.420601D+01 -0.285790D+01 -0.145912D+01 -0.829899D+00  0.786862D+00
                76            77            78            79            80 
      1   0.127289D+01 -0.531342D+01  0.156358D+01  0.670662D+01  0.281687D+01
      2  -0.658893D+00  0.261477D+01 -0.142401D+01 -0.241625D+01 -0.482440D+00
      3  -0.613997D+00  0.269866D+01 -0.139569D+00 -0.429037D+01 -0.233443D+01
      4   0.165935D+00 -0.135969D+01  0.258686D+01 -0.264132D+01  0.251227D+01
      5   0.123049D-01  0.236225D+01  0.175228D+00  0.451600D+01 -0.295168D+01
      6   0.102681D-01 -0.154846D+01  0.576868D+01  0.918865D-01  0.656971D+01
                81            82            83            84            85 
      1  -0.214969D+02 -0.146482D+01 -0.364748D+01 -0.176633D+01 -0.483619D+01
      2  -0.113174D+02  0.384440D+01  0.268193D+01  0.127136D+01  0.308135D+01
      3   0.328143D+02 -0.237958D+01  0.965548D+00  0.494972D+00  0.175484D+01
      4  -0.133728D+01 -0.161954D+01  0.382860D+01  0.123234D+01  0.507449D+01
      5   0.189317D+02 -0.132954D+01  0.403497D+00  0.831808D+00 -0.304637D-01
      6  -0.131278D+02  0.150510D+01  0.853548D-01  0.294925D+00  0.252121D+00
                86            87            88            89            90 
      1  -0.183038D+02 -0.243461D+01 -0.309188D+01 -0.345403D+01 -0.578099D+01
      2   0.311284D+02  0.477414D+01  0.221147D+01  0.554978D+01  0.339140D+01
      3  -0.128246D+02 -0.233953D+01  0.880406D+00 -0.209575D+01  0.238960D+01
      4  -0.172172D+02 -0.233307D+01  0.169776D+01 -0.415377D+01 -0.285806D+01
      5  -0.283020D+01 -0.270100D+01  0.559550D+00 -0.354438D+01 -0.837554D+00
      6   0.370602D+01  0.552002D+01  0.260059D+00  0.663265D+01  0.266265D+01
                91            92            93            94            95 
      1  -0.112101D+02 -0.248055D+01  0.281967D-01 -0.119010D+02 -0.644981D+01
      2   0.949330D+01  0.191359D+00  0.160915D+00  0.641235D+01  0.102485D+02
      3   0.171677D+01  0.228919D+01 -0.189112D+00  0.548861D+01 -0.379868D+01
      4   0.329533D+00 -0.898729D+00 -0.289934D+00  0.740679D+01 -0.151736D+02
      5   0.786999D+00  0.435515D+00 -0.171177D+01  0.988400D+00  0.260413D+00
      6  -0.137634D+00  0.103588D+00 -0.172210D+01  0.859317D-02  0.367970D+00
                96            97            98            99           100 
      1   0.183727D+00  0.813934D+00  0.201490D+00 -0.102374D+01 -0.807055D+00
      2  -0.135203D+00 -0.570925D+00 -0.248544D+00  0.327617D+00  0.842107D+00
      3  -0.485236D-01 -0.243009D+00  0.470543D-01  0.696120D+00 -0.350521D-01
      4  -0.361892D+00 -0.257961D+00  0.151131D+00 -0.209536D+01  0.219585D+01
      5  -0.379855D+01  0.198905D+01 -0.179897D+01  0.478004D-01  0.225718D+01
      6   0.171756D+01 -0.155487D+01  0.243787D+01 -0.827661D-01  0.259664D+01
               101           102           103           104           105 
      1  -0.874164D+00 -0.740845D+00 -0.244339D+00 -0.281035D+01 -0.177804D+01
      2   0.154491D+01  0.225713D+00  0.667531D+00  0.315151D+01  0.241597D+01
      3  -0.670747D+00  0.515132D+00 -0.423192D+00 -0.341157D+00 -0.637939D+00
      4   0.404885D+01  0.280580D+01  0.356176D+01  0.219372D+01  0.210450D+01
      5   0.158289D+01  0.394671D+01  0.520533D+00  0.145991D+01  0.129865D+01
      6   0.285778D+01  0.485627D+01  0.197887D+01  0.332945D+01  0.573314D+01
               106           107           108           109           110 
      1  -0.183030D+00 -0.527723D+01 -0.866416D+01  0.822567D+00 -0.293934D+01
      2  -0.109550D+01  0.429403D+01 -0.300607D+01  0.559372D+01  0.977496D+01
      3   0.127853D+01  0.983199D+00  0.116702D+02 -0.641629D+01 -0.683561D+01
      4   0.442389D+01  0.387875D+01  0.536637D+01  0.130789D+02  0.133958D+02
      5   0.395447D+01  0.263625D+01  0.716927D+01 -0.360091D+01 -0.257697D+01
      6   0.572556D+01  0.903509D+01  0.209622D+02 -0.581288D+01 -0.519965D+01
               111           112           113           114           115 
      1   0.280223D-01 -0.160615D+01 -0.533433D+01  0.140600D+01  0.854473D+00
      2  -0.224214D+01  0.659900D+01  0.124776D+02 -0.374469D+01 -0.249961D+01
      3   0.221412D+01 -0.499285D+01 -0.714324D+01  0.233868D+01  0.164514D+01
      4  -0.499337D+01  0.113677D+02  0.106553D+02 -0.379925D+01 -0.678948D+01
      5   0.366134D+01 -0.118298D+01 -0.240934D+01  0.165366D+01  0.376149D+01
      6   0.586762D+01 -0.416163D+01 -0.566150D+01  0.501986D+01  0.615051D+01
               116           117           118           119           120 
      1   0.293669D+01 -0.242929D+01  0.421429D+02 -0.132324D+02  0.546610D+01
      2  -0.504242D+01  0.202124D+01 -0.201082D+02  0.548544D+01 -0.257255D+01
      3   0.210573D+01  0.408050D+00 -0.220347D+02  0.774692D+01 -0.289355D+01
      4  -0.573282D+01  0.567268D+01 -0.197014D+02  0.124215D+02 -0.291543D+01
      5   0.303122D+01 -0.320959D+01  0.706661D+01 -0.271176D+01  0.675844D+01
      6   0.736625D+01 -0.611327D+01 -0.867028D+00  0.422187D+00 -0.916161D+00
               121           122           123           124           125 
      1  -0.212362D+02  0.107955D+02 -0.275676D+01  0.109446D+02 -0.362585D+01
      2   0.828134D+01 -0.257200D+01  0.101451D+01 -0.590082D+01  0.155418D+01
      3   0.129548D+02 -0.822345D+01  0.174225D+01 -0.504380D+01  0.207167D+01
      4   0.183112D+02 -0.127272D+02  0.363332D+01 -0.618693D+01  0.430471D+01
      5  -0.435864D+01  0.356593D+01 -0.364356D+01  0.838683D+01 -0.343069D+01
      6   0.967306D+00 -0.992414D+00  0.175331D+01 -0.185998D+01  0.182209D+01
               126 
      1   0.497109D+01
      2  -0.324743D+01
      3  -0.172366D+01
      4  -0.372167D+01
      5   0.313847D+01
      6  -0.969722D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:45:02 2021, MaxMem=  5368709120 cpu:            3270.0 elap:             409.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.50334 -19.48768 -19.45342 -14.63894 -10.58071
 Alpha  occ. eigenvalues --  -10.50823 -10.50319  -1.23723  -1.17188  -1.14616
 Alpha  occ. eigenvalues --   -1.05268  -0.89243  -0.78972  -0.72972  -0.69633
 Alpha  occ. eigenvalues --   -0.65300  -0.62029  -0.60846  -0.58933  -0.57807
 Alpha  occ. eigenvalues --   -0.55866  -0.51641  -0.49986  -0.48048  -0.43715
 Alpha  occ. eigenvalues --   -0.42366  -0.41648  -0.38225
 Alpha virt. eigenvalues --    0.02871   0.04928   0.06255   0.06950   0.08178
 Alpha virt. eigenvalues --    0.09440   0.10596   0.11135   0.12224   0.12872
 Alpha virt. eigenvalues --    0.14300   0.14915   0.15979   0.17592   0.18343
 Alpha virt. eigenvalues --    0.19889   0.20033   0.20931   0.21730   0.23926
 Alpha virt. eigenvalues --    0.24864   0.25904   0.26629   0.27821   0.28777
 Alpha virt. eigenvalues --    0.29802   0.31043   0.31642   0.32008   0.33068
 Alpha virt. eigenvalues --    0.34071   0.34602   0.35323   0.35770   0.37287
 Alpha virt. eigenvalues --    0.39027   0.39790   0.40630   0.40951   0.41662
 Alpha virt. eigenvalues --    0.42303   0.43201   0.43455   0.45223   0.46260
 Alpha virt. eigenvalues --    0.46529   0.48136   0.48861   0.50333   0.50629
 Alpha virt. eigenvalues --    0.51317   0.51657   0.52847   0.54018   0.55610
 Alpha virt. eigenvalues --    0.55786   0.56387   0.56731   0.58057   0.59406
 Alpha virt. eigenvalues --    0.59679   0.61529   0.62452   0.63873   0.65297
 Alpha virt. eigenvalues --    0.65797   0.67451   0.67742   0.69417   0.70386
 Alpha virt. eigenvalues --    0.71311   0.72657   0.72731   0.74633   0.75780
 Alpha virt. eigenvalues --    0.76115   0.79240   0.79555   0.80449   0.81344
 Alpha virt. eigenvalues --    0.82111   0.83843   0.85625   0.87955   0.92391
 Alpha virt. eigenvalues --    0.94236   0.98400   1.01452   1.02472   1.06418
 Alpha virt. eigenvalues --    1.08024   1.08609   1.09936   1.11789   1.15132
 Alpha virt. eigenvalues --    1.16584   1.18045   1.19425   1.22297   1.24809
 Alpha virt. eigenvalues --    1.27048   1.28518   1.33755   1.35119   1.42747
 Alpha virt. eigenvalues --    1.45875   1.51046   1.52602   1.54896   1.56805
 Alpha virt. eigenvalues --    1.58513   1.59751   1.62065   1.66647   1.69862
 Alpha virt. eigenvalues --    1.73063   1.75052   1.78679   1.80663   1.84662
 Alpha virt. eigenvalues --    1.87509   1.88530   1.91176   1.93079   1.94290
 Alpha virt. eigenvalues --    1.97018   1.99198   1.99899   2.02631   2.04099
 Alpha virt. eigenvalues --    2.06455   2.07308   2.12257   2.14776   2.15156
 Alpha virt. eigenvalues --    2.16195   2.17006   2.21646   2.24088   2.25875
 Alpha virt. eigenvalues --    2.26472   2.31428   2.32838   2.35082   2.37794
 Alpha virt. eigenvalues --    2.41137   2.44691   2.46498   2.51509   2.53349
 Alpha virt. eigenvalues --    2.61211   2.63437   2.67645   2.78112   2.90038
 Alpha virt. eigenvalues --    2.94463   2.95262   2.96930   3.03114   3.05262
 Alpha virt. eigenvalues --    3.06033   3.10648   3.12740   3.15043   3.16783
 Alpha virt. eigenvalues --    3.24382   3.24904   3.27784   3.34611   3.44034
 Alpha virt. eigenvalues --    3.52000   3.57129   3.61312   3.68346   3.88581
 Alpha virt. eigenvalues --    3.97575   4.00713
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.361928   0.274196  -0.087458   0.000819   0.376144  -0.019050
     2  C    0.274196   6.019271  -0.413697  -0.040210  -0.171411   0.156782
     3  C   -0.087458  -0.413697   5.910862   0.198538   0.029845  -0.208249
     4  O    0.000819  -0.040210   0.198538   7.848850   0.001982  -0.010699
     5  O    0.376144  -0.171411   0.029845   0.001982   7.903585  -0.000235
     6  N   -0.019050   0.156782  -0.208249  -0.010699  -0.000235   6.991253
     7  O   -0.025482  -0.028458   0.408514   0.022590   0.012400   0.027376
     8  H    0.002296   0.359708  -0.060976   0.008141  -0.054289   0.038024
     9  H    0.354310   0.016432   0.015640  -0.005993  -0.074882   0.002675
    10  H    0.375956   0.039659  -0.068025   0.005869  -0.036611  -0.004389
    11  H    0.006477  -0.042966   0.123399   0.216418   0.001761  -0.011157
    12  H   -0.028733   0.047094   0.041589  -0.009517  -0.004577   0.200690
    13  H   -0.013085   0.114145   0.019072   0.004863   0.008801   0.072985
    14  H   -0.005318   0.044115  -0.002698  -0.000280   0.254963   0.001695
               7          8          9         10         11         12
     1  C   -0.025482   0.002296   0.354310   0.375956   0.006477  -0.028733
     2  C   -0.028458   0.359708   0.016432   0.039659  -0.042966   0.047094
     3  C    0.408514  -0.060976   0.015640  -0.068025   0.123399   0.041589
     4  O    0.022590   0.008141  -0.005993   0.005869   0.216418  -0.009517
     5  O    0.012400  -0.054289  -0.074882  -0.036611   0.001761  -0.004577
     6  N    0.027376   0.038024   0.002675  -0.004389  -0.011157   0.200690
     7  O    7.874647  -0.008855  -0.012700  -0.001872  -0.022839  -0.007110
     8  H   -0.008855   0.655264   0.018876   0.005567  -0.007630   0.007567
     9  H   -0.012700   0.018876   0.695796   0.017985  -0.000096  -0.005427
    10  H   -0.001872   0.005567   0.017985   0.685564  -0.000990   0.002755
    11  H   -0.022839  -0.007630  -0.000096  -0.000990   0.481792  -0.028537
    12  H   -0.007110   0.007567  -0.005427   0.002755  -0.028537   0.722154
    13  H   -0.001138  -0.034500  -0.003504   0.000242   0.005786  -0.093319
    14  H   -0.000045   0.002678   0.006603  -0.021679   0.000122  -0.000031
              13         14
     1  C   -0.013085  -0.005318
     2  C    0.114145   0.044115
     3  C    0.019072  -0.002698
     4  O    0.004863  -0.000280
     5  O    0.008801   0.254963
     6  N    0.072985   0.001695
     7  O   -0.001138  -0.000045
     8  H   -0.034500   0.002678
     9  H   -0.003504   0.006603
    10  H    0.000242  -0.021679
    11  H    0.005786   0.000122
    12  H   -0.093319  -0.000031
    13  H    0.750890  -0.001590
    14  H   -0.001590   0.550462
 Mulliken charges:
               1
     1  C    0.427001
     2  C   -0.374661
     3  C    0.093643
     4  O   -0.241371
     5  O   -0.247476
     6  N   -0.237700
     7  O   -0.237030
     8  H    0.068128
     9  H   -0.025714
    10  H   -0.000032
    11  H    0.278459
    12  H    0.155400
    13  H    0.170351
    14  H    0.171002
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.401255
     2  C   -0.306533
     3  C    0.093643
     4  O    0.037088
     5  O   -0.076474
     6  N    0.088051
     7  O   -0.237030
 Electronic spatial extent (au):  <R**2>=            825.1683
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              4.1783    Y=              1.9841    Z=              0.6679  Tot=              4.6735
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -46.6707   YY=            -42.3209   ZZ=            -39.4386
   XY=             -6.6668   XZ=              2.8354   YZ=             -0.1563
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -3.8606   YY=              0.4892   ZZ=              3.3714
   XY=             -6.6668   XZ=              2.8354   YZ=             -0.1563
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             34.3161  YYY=             12.6161  ZZZ=              0.9169  XYY=             14.8099
  XXY=             -5.8153  XXZ=              5.4346  XZZ=              0.7515  YZZ=              2.5830
  YYZ=              1.0301  XYZ=             -1.9537
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -607.2144 YYYY=           -290.5261 ZZZZ=            -62.2625 XXXY=            -53.0763
 XXXZ=             21.4489 YYYX=            -11.6110 YYYZ=              1.3862 ZZZX=              1.7786
 ZZZY=              2.1029 XXYY=           -143.1278 XXZZ=           -120.4708 YYZZ=            -55.5242
 XXYZ=             -5.7137 YYXZ=             -1.3255 ZZXY=              2.1868
 N-N= 3.225377908605D+02 E-N=-1.577557785149D+03  KE= 3.943543742044D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:45:03 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.59951754D+00 7.94022650D-01 2.48180091D-01
 Polarizability= 6.09590844D+01-3.50372554D-01 5.94450683D+01
                -5.67215220D-01-3.40345930D-01 4.34226324D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.2994    0.2991       -0.0986   -0.0982
 2     -0.2994   -0.2991        0.0653    0.0691       -0.5039   -0.5027
 3      0.0986    0.0982        8.5668    8.5720       -0.0695   -0.0691
 4     -0.0653   -0.0691       -0.0000    0.0000        0.0997    0.0982
 5     -8.0629   -8.0693       -0.0997   -0.0982        0.2988    0.2991
 6      0.0695    0.0691       -0.2988   -0.2991        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.8972   -0.8972       -0.2946   -0.2946
 2     -0.2072   -0.2072       -0.0000    0.0000       -0.2946   -0.2946
 3     -0.2072   -0.2072       -0.8972   -0.8972       -0.0000    0.0000
 4     -0.8972   -0.8972        0.2072    0.2072       -1.5082   -1.5082
 5      0.2946    0.2946       25.7161   25.7161       -0.2072   -0.2072
 6    -24.2080  -24.2080       -0.2946   -0.2946        0.8972    0.8972
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0061    0.0000       -1.3575   -1.1963        0.0688    0.3928
 2      1.4282    1.1963       -0.0051   -0.2763        1.5401    2.0109
 3     -0.3458   -0.3928      -34.4170  -34.2882        0.1878    0.2763
 4      0.3040    0.2763       -0.1735    0.0000       -0.4828   -0.3928
 5     32.3988   32.2773        0.3896    0.3928       -1.1828   -1.1963
 6     -0.2088   -0.2763        1.2665    1.1963        0.0023    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0157    0.0000        4.2242    4.2697       -0.5623   -0.4977
 2     -4.3583   -4.2697       15.9670   15.7530        0.3731    0.5517
 3      0.3224    0.4977        4.2960    4.3480      -15.6971  -15.7530
 4    -15.5594  -15.7530       -0.1365    0.0000        0.5816    0.4977
 5     -4.9780   -4.8997       -0.4384   -0.4977        4.1241    4.2697
 6     15.6315   15.7530       -4.2007   -4.2697        0.0826    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -9.7324   -9.6809        4.9579    4.8369        0.9437    0.9294
 2    -32.6496  -32.7946        4.0773    4.0875        0.8167    0.9294
 3    -32.6927  -32.7946        4.9567    4.8369        0.5967    0.6937
 4      0.7987    0.7493       22.8427   23.1137       -1.7201   -1.6617
 5     -0.1542   -0.2356       10.0891   10.0565      -23.2207  -23.1137
 6     -8.6153   -8.3949        0.3122    0.2356       -1.1323   -0.7493
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.1714   -0.0004    0.0003    0.0009    1.8975    3.7422
 Low frequencies ---   68.2486  116.9717  200.2556
 Diagonal vibrational polarizability:
       31.4846613      37.2093199      65.9170475
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     68.2485               116.9716               200.2556
 Red. masses --      4.4028                 3.3953                 4.3737
 Frc consts  --      0.0121                 0.0274                 0.1033
 IR Inten    --      1.4082                11.8872                23.7884
 RamAct Fr= 1--      0.3466                 0.1098                 0.5840
  Dep-P Fr= 1--      0.7448                 0.7256                 0.7206
  Dep-U Fr= 1--      0.8537                 0.8410                 0.8376
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0003
 Beta2  Fr= 1--      0.0493                 0.0154                 0.0815
 AlphaG Fr= 1--     -0.0005                -0.0002                 0.0005
 Gamma2 Fr= 1--      0.1539                 0.2040                 0.0967
 Delta2 Fr= 1--      0.1110                 0.1386                -0.0003
 Raman1 Fr= 1--       1.386                  0.439                  2.336
 ROA1   Fr= 1--      18.325                 24.015                  9.270
 CID1   Fr= 1--      13.219                 54.665                  3.968
 Raman2 Fr= 1--       0.592                  0.185                  0.978
 ROA2   Fr= 1--       2.805                  3.786                  2.322
 CID2   Fr= 1--       4.740                 20.497                  2.374
 Raman3 Fr= 1--       1.184                  0.369                  1.957
 ROA3   Fr= 1--      18.325                 24.015                  9.270
 CID3   Fr= 1--      15.484                 65.002                  4.738
 RC180  Fr= 1--       0.707                  0.682                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.09    -0.01  -0.12  -0.21    -0.14  -0.01  -0.14
     2   6    -0.00  -0.02  -0.07    -0.02  -0.06  -0.12    -0.01   0.17  -0.12
     3   6    -0.00  -0.01  -0.02    -0.02   0.00   0.01     0.06   0.05  -0.02
     4   8     0.06  -0.02   0.31     0.03   0.04   0.04    -0.07  -0.09   0.05
     5   8    -0.00  -0.01   0.12    -0.01   0.19   0.20     0.01  -0.21   0.13
     6   7     0.00   0.02  -0.22     0.07  -0.08  -0.05    -0.06   0.14  -0.02
     7   8    -0.03  -0.01  -0.23    -0.05   0.01   0.10     0.25   0.01   0.09
     8   1     0.03  -0.17  -0.06    -0.11   0.00  -0.13    -0.04   0.24  -0.12
     9   1    -0.10   0.18   0.09    -0.21  -0.49  -0.23    -0.29  -0.15  -0.15
    10   1    -0.02   0.01   0.20     0.19  -0.03  -0.56    -0.28   0.07  -0.28
    11   1     0.09  -0.03   0.30     0.06   0.02  -0.01    -0.21  -0.01   0.01
    12   1     0.30   0.14  -0.31     0.06  -0.16  -0.04    -0.04   0.10  -0.02
    13   1    -0.22   0.05  -0.48     0.14  -0.13  -0.00    -0.10   0.22  -0.01
    14   1    -0.03   0.01   0.22     0.01   0.17   0.11    -0.18  -0.49  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    244.2219               284.8145               321.5384
 Red. masses --      1.1023                 1.1525                 4.5292
 Frc consts  --      0.0387                 0.0551                 0.2759
 IR Inten    --    112.0380                22.5138                 3.2192
 RamAct Fr= 1--      0.9191                 0.3698                 0.2357
  Dep-P Fr= 1--      0.7340                 0.7464                 0.3599
  Dep-U Fr= 1--      0.8466                 0.8548                 0.5293
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0020
 Beta2  Fr= 1--      0.1297                 0.0527                 0.0208
 AlphaG Fr= 1--     -0.0009                 0.0005                -0.0031
 Gamma2 Fr= 1--     -0.0604                 0.0009                 0.0065
 Delta2 Fr= 1--      0.0337                -0.0105                 0.0074
 Raman1 Fr= 1--       3.676                  1.479                  0.943
 ROA1   Fr= 1--      -4.721                 -0.253                  0.862
 CID1   Fr= 1--      -1.284                 -0.171                  0.915
 Raman2 Fr= 1--       1.556                  0.632                  0.250
 ROA2   Fr= 1--      -1.719                  0.105                  0.097
 CID2   Fr= 1--      -1.104                  0.166                  0.388
 Raman3 Fr= 1--       3.112                  1.264                  0.499
 ROA3   Fr= 1--      -4.721                 -0.253                  0.862
 CID3   Fr= 1--      -1.517                 -0.200                  1.728
 RC180  Fr= 1--       0.693                  0.710                  0.059
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02     0.01  -0.01  -0.03    -0.11  -0.05   0.07
     2   6     0.00   0.01  -0.02    -0.00   0.01   0.02    -0.03   0.01   0.08
     3   6     0.01   0.01  -0.01    -0.01  -0.01   0.01     0.01   0.04   0.03
     4   8     0.00  -0.00   0.02    -0.00   0.00  -0.06    -0.15  -0.08  -0.02
     5   8    -0.01  -0.04  -0.05     0.02  -0.01  -0.00    -0.22   0.09  -0.05
     6   7    -0.00   0.00   0.01    -0.00   0.00   0.06     0.33   0.00  -0.02
     7   8     0.02   0.00   0.01    -0.01  -0.01   0.02     0.16   0.01  -0.05
     8   1     0.00   0.03  -0.02    -0.04   0.03   0.02    -0.04  -0.08   0.08
     9   1    -0.02   0.02  -0.02     0.01  -0.06  -0.03    -0.05  -0.04   0.08
    10   1    -0.03  -0.02   0.00    -0.01   0.01  -0.06    -0.08  -0.05   0.08
    11   1    -0.01   0.00  -0.01     0.08  -0.02   0.16    -0.32  -0.01   0.05
    12   1    -0.10  -0.03   0.04     0.65   0.02  -0.12     0.53   0.00  -0.07
    13   1     0.07  -0.01   0.09    -0.51   0.22  -0.41     0.40  -0.25  -0.16
    14   1     0.05   0.49   0.85     0.01   0.07   0.15    -0.09   0.21  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    371.7136               428.1816               526.8821
 Red. masses --      4.4960                 2.8297                 5.8886
 Frc consts  --      0.3660                 0.3057                 0.9631
 IR Inten    --     11.1481                 9.8348                 0.7164
 RamAct Fr= 1--      2.6482                 0.4372                 3.2360
  Dep-P Fr= 1--      0.1476                 0.4775                 0.7161
  Dep-U Fr= 1--      0.2573                 0.6463                 0.8345
 Alpha2 Fr= 1--      0.0412                 0.0024                 0.0019
 Beta2  Fr= 1--      0.1135                 0.0471                 0.4501
 AlphaG Fr= 1--      0.0057                -0.0041                -0.0087
 Gamma2 Fr= 1--     -0.1809                -0.3120                -0.0016
 Delta2 Fr= 1--     -0.0991                -0.1708                 0.1019
 Raman1 Fr= 1--      10.593                  1.749                 12.944
 ROA1   Fr= 1--     -20.543                -35.416                  3.110
 CID1   Fr= 1--      -1.939                -20.254                  0.240
 Raman2 Fr= 1--       1.363                  0.565                  5.401
 ROA2   Fr= 1--      -3.550                 -6.121                 -0.854
 CID2   Fr= 1--      -2.605                -10.831                 -0.158
 Raman3 Fr= 1--       2.725                  1.130                 10.802
 ROA3   Fr= 1--     -20.543                -35.416                  3.110
 CID3   Fr= 1--      -7.538                -31.336                  0.288
 RC180  Fr= 1--      -0.485                  0.293                  0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.03   0.07     0.00  -0.17   0.01     0.11  -0.12   0.07
     2   6    -0.00  -0.05  -0.14     0.00  -0.02   0.21    -0.01  -0.16  -0.07
     3   6     0.08  -0.02  -0.11     0.05   0.02   0.09    -0.04   0.21  -0.05
     4   8     0.26   0.09  -0.00     0.09   0.06  -0.03    -0.22   0.12   0.05
     5   8    -0.24   0.05  -0.03    -0.10   0.01  -0.02     0.07   0.01  -0.01
     6   7    -0.07  -0.10   0.10    -0.13   0.07  -0.09    -0.16  -0.27  -0.00
     7   8     0.12  -0.03   0.06     0.09   0.01  -0.07     0.25   0.18  -0.02
     8   1     0.16   0.02  -0.12    -0.01  -0.10   0.20     0.05  -0.24  -0.06
     9   1    -0.24   0.28   0.06     0.12  -0.56   0.02     0.12   0.04   0.07
    10   1    -0.14  -0.04   0.28    -0.05  -0.04  -0.35     0.26  -0.18   0.22
    11   1     0.47  -0.01   0.04     0.16   0.03  -0.11    -0.25   0.15   0.14
    12   1     0.07  -0.29   0.08    -0.27   0.40  -0.08    -0.01  -0.33  -0.04
    13   1    -0.22   0.10   0.10    -0.14   0.01  -0.16    -0.40   0.01  -0.05
    14   1    -0.18   0.03  -0.22     0.03   0.15  -0.03     0.14   0.07  -0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    614.1270               737.6392               853.8998
 Red. masses --      3.5274                 6.8628                 1.5415
 Frc consts  --      0.7838                 2.2001                 0.6622
 IR Inten    --     20.9959                 9.5910                85.6708
 RamAct Fr= 1--      1.0616                 4.2257                 3.8033
  Dep-P Fr= 1--      0.2643                 0.0618                 0.1328
  Dep-U Fr= 1--      0.4181                 0.1164                 0.2345
 Alpha2 Fr= 1--      0.0121                 0.0812                 0.0614
 Beta2  Fr= 1--      0.0740                 0.0820                 0.1486
 AlphaG Fr= 1--      0.0166                 0.0432                -0.1161
 Gamma2 Fr= 1--      0.6582                -0.1328                -0.5236
 Delta2 Fr= 1--      0.3374                 0.0348                -0.2806
 Raman1 Fr= 1--       4.247                 16.903                 15.213
 ROA1   Fr= 1--      73.983                -11.630                -59.241
 CID1   Fr= 1--      17.422                 -0.688                 -3.894
 Raman2 Fr= 1--       0.888                  0.983                  1.784
 ROA2   Fr= 1--      13.097                 -3.465                -10.321
 CID2   Fr= 1--      14.754                 -3.523                 -5.786
 Raman3 Fr= 1--       1.775                  1.967                  3.568
 ROA3   Fr= 1--      73.983                -11.630                -59.241
 CID3   Fr= 1--      41.672                 -5.913                -16.605
 RC180  Fr= 1--      -0.164                 -0.767                 -0.531
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.15  -0.10    -0.03   0.05  -0.07     0.04  -0.09   0.02
     2   6    -0.19  -0.03   0.04     0.10  -0.01  -0.07     0.02  -0.02  -0.09
     3   6    -0.06  -0.04   0.25     0.34   0.11   0.36    -0.01  -0.01   0.06
     4   8     0.03   0.13  -0.07     0.06  -0.25  -0.10    -0.03   0.02  -0.05
     5   8     0.08  -0.02   0.02    -0.08  -0.01   0.02    -0.02  -0.00   0.01
     6   7     0.01  -0.07  -0.01    -0.06  -0.13  -0.02    -0.03   0.12  -0.02
     7   8     0.12  -0.09  -0.10    -0.14   0.25  -0.08     0.00  -0.03  -0.00
     8   1    -0.63  -0.06  -0.02    -0.32  -0.11  -0.11    -0.06  -0.03  -0.09
     9   1    -0.09   0.28  -0.10    -0.18   0.23  -0.07    -0.01   0.05   0.02
    10   1    -0.02   0.10   0.05    -0.07  -0.00   0.10     0.10  -0.14   0.15
    11   1     0.28   0.02   0.00    -0.42  -0.00   0.10     0.16  -0.03   0.86
    12   1     0.03  -0.16  -0.00    -0.08  -0.22  -0.00     0.00  -0.14   0.01
    13   1     0.20  -0.28   0.04    -0.18   0.12   0.06     0.19   0.05   0.19
    14   1    -0.12  -0.18   0.16    -0.09  -0.02   0.01     0.11   0.11  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    860.7673               888.2992               965.1051
 Red. masses --      2.0260                 1.6960                 1.4519
 Frc consts  --      0.8844                 0.7885                 0.7968
 IR Inten    --     20.3436                71.5909                56.8199
 RamAct Fr= 1--      5.4472                 1.7898                 0.3187
  Dep-P Fr= 1--      0.0557                 0.4299                 0.7454
  Dep-U Fr= 1--      0.1056                 0.6013                 0.8541
 Alpha2 Fr= 1--      0.1061                 0.0119                 0.0000
 Beta2  Fr= 1--      0.0958                 0.1794                 0.0454
 AlphaG Fr= 1--      0.0594                 0.0248                 0.0008
 Gamma2 Fr= 1--     -0.3196                 0.3249                 0.3846
 Delta2 Fr= 1--     -0.2540                 0.1467                 0.2607
 Raman1 Fr= 1--      21.789                  7.159                  1.275
 ROA1   Fr= 1--     -38.811                 35.880                 45.261
 CID1   Fr= 1--      -1.781                  5.012                 35.504
 Raman2 Fr= 1--       1.150                  2.153                  0.544
 ROA2   Fr= 1--      -5.638                  6.623                  7.144
 CID2   Fr= 1--      -4.903                  3.077                 13.123
 Raman3 Fr= 1--       2.300                  4.305                  1.089
 ROA3   Fr= 1--     -38.811                 35.880                 45.261
 CID3   Fr= 1--     -16.875                  8.334                 41.567
 RC180  Fr= 1--      -0.789                  0.203                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.07   0.01    -0.03   0.10  -0.01     0.01  -0.08  -0.06
     2   6    -0.12  -0.03   0.11     0.09   0.05   0.05    -0.09  -0.01   0.05
     3   6     0.04   0.04  -0.15    -0.02  -0.01  -0.00    -0.01   0.02  -0.07
     4   8     0.07  -0.07  -0.02    -0.04   0.02  -0.02     0.04  -0.04  -0.00
     5   8     0.05   0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01   0.02
     6   7    -0.06  -0.02  -0.02     0.07  -0.14  -0.05     0.06  -0.01   0.01
     7   8    -0.00   0.08   0.04     0.00  -0.02   0.01     0.00   0.03   0.02
     8   1    -0.04  -0.07   0.12     0.19  -0.01   0.06    -0.34   0.23   0.01
     9   1     0.08  -0.15   0.01     0.00  -0.12  -0.01    -0.06   0.37  -0.07
    10   1    -0.07   0.13  -0.18    -0.16   0.19  -0.23     0.16  -0.25   0.36
    11   1    -0.02  -0.01   0.59     0.16  -0.05   0.59     0.04  -0.03   0.14
    12   1     0.22  -0.12  -0.08    -0.45   0.21   0.05    -0.33   0.48   0.06
    13   1     0.30  -0.53  -0.03    -0.22   0.28  -0.01    -0.18   0.13  -0.14
    14   1    -0.08  -0.10   0.08    -0.11  -0.08   0.07     0.03   0.01  -0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1048.8272              1090.8141              1112.7915
 Red. masses --      4.0101                 2.2742                 2.1750
 Frc consts  --      2.5991                 1.5943                 1.5869
 IR Inten    --    108.1381                28.2020                42.6417
 RamAct Fr= 1--      4.3023                 2.0544                 2.1818
  Dep-P Fr= 1--      0.3540                 0.5114                 0.7495
  Dep-U Fr= 1--      0.5229                 0.6767                 0.8568
 Alpha2 Fr= 1--      0.0373                 0.0096                 0.0000
 Beta2  Fr= 1--      0.3749                 0.2317                 0.3116
 AlphaG Fr= 1--      0.0337                -0.0127                 0.0001
 Gamma2 Fr= 1--     -0.1768                 0.8234                -0.0804
 Delta2 Fr= 1--      0.2368                 0.4085                -0.7774
 Raman1 Fr= 1--      17.209                  8.218                  8.727
 ROA1   Fr= 1--      -9.395                 92.117                -32.592
 CID1   Fr= 1--      -0.546                 11.210                 -3.734
 Raman2 Fr= 1--       4.499                  2.781                  3.739
 ROA2   Fr= 1--      -6.137                 16.493                  4.291
 CID2   Fr= 1--      -1.364                  5.932                  1.148
 Raman3 Fr= 1--       8.998                  5.561                  7.478
 ROA3   Fr= 1--      -9.395                 92.117                -32.592
 CID3   Fr= 1--      -1.044                 16.565                 -4.359
 RC180  Fr= 1--       0.046                  0.353                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.26  -0.13   0.20     0.19   0.08   0.07     0.05  -0.06   0.06
     2   6    -0.12   0.06  -0.09    -0.15   0.03  -0.05    -0.03   0.26  -0.01
     3   6    -0.06   0.04   0.06    -0.05   0.03  -0.03     0.03  -0.02   0.00
     4   8     0.07  -0.07  -0.02     0.05  -0.05  -0.00     0.01   0.02  -0.00
     5   8     0.23   0.09  -0.09    -0.10  -0.07   0.02    -0.01  -0.03   0.02
     6   7     0.07   0.00  -0.01     0.07   0.01  -0.01    -0.03  -0.13  -0.04
     7   8     0.00   0.03  -0.01     0.01   0.03   0.00    -0.02  -0.04   0.00
     8   1    -0.03  -0.25  -0.06    -0.40  -0.23  -0.07    -0.18   0.51  -0.04
     9   1    -0.12  -0.41   0.19     0.24  -0.36   0.09    -0.00  -0.03   0.06
    10   1    -0.22  -0.01  -0.13     0.27   0.17  -0.25    -0.19  -0.01   0.03
    11   1     0.11  -0.08  -0.05     0.06  -0.05  -0.07    -0.03   0.03   0.02
    12   1    -0.19  -0.18   0.06    -0.14  -0.26   0.05     0.08  -0.12  -0.08
    13   1    -0.18   0.47   0.12    -0.14   0.43   0.12     0.05  -0.33  -0.10
    14   1     0.20   0.07  -0.04     0.00   0.04  -0.02     0.45   0.37  -0.26
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1188.4043              1214.3847              1238.3080
 Red. masses --      1.3754                 2.3294                 1.2882
 Frc consts  --      1.1444                 2.0240                 1.1638
 IR Inten    --      3.4605                13.8222                26.8324
 RamAct Fr= 1--      3.4166                 3.9601                 2.7085
  Dep-P Fr= 1--      0.6003                 0.2761                 0.7102
  Dep-U Fr= 1--      0.7503                 0.4327                 0.8305
 Alpha2 Fr= 1--      0.0095                 0.0436                 0.0019
 Beta2  Fr= 1--      0.4272                 0.2856                 0.3749
 AlphaG Fr= 1--     -0.0126                 0.0083                -0.0043
 Gamma2 Fr= 1--      1.4474                -0.7014                -0.2155
 Delta2 Fr= 1--      0.2509                -0.2032                -0.3390
 Raman1 Fr= 1--      13.666                 15.840                 10.834
 ROA1   Fr= 1--     146.975                -73.842                -31.533
 CID1   Fr= 1--      10.755                 -4.662                 -2.911
 Raman2 Fr= 1--       5.127                  3.427                  4.499
 ROA2   Fr= 1--      32.730                -15.209                 -2.460
 CID2   Fr= 1--       6.384                 -4.438                 -0.547
 Raman3 Fr= 1--      10.253                  6.854                  8.998
 ROA3   Fr= 1--     146.975                -73.842                -31.533
 CID3   Fr= 1--      14.334                -10.774                 -3.505
 RC180  Fr= 1--       0.501                 -0.135                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.10    -0.03  -0.01   0.03    -0.01   0.07   0.00
     2   6    -0.04  -0.04  -0.09    -0.02   0.01   0.04     0.05  -0.11   0.01
     3   6     0.05  -0.02   0.04     0.25  -0.09  -0.10    -0.02   0.01  -0.03
     4   8    -0.01   0.02  -0.01    -0.06   0.12   0.02    -0.01  -0.01   0.01
     5   8     0.00  -0.02  -0.04     0.02   0.02  -0.02     0.01  -0.04   0.01
     6   7     0.00  -0.00   0.05     0.01   0.01  -0.01     0.01   0.03   0.03
     7   8    -0.00  -0.00  -0.01    -0.04  -0.08   0.01     0.01   0.02   0.00
     8   1     0.10   0.33  -0.09    -0.55  -0.28  -0.02    -0.31  -0.13  -0.03
     9   1    -0.36  -0.27   0.07    -0.09  -0.06   0.02    -0.46   0.00  -0.04
    10   1     0.50   0.07  -0.19     0.04  -0.01  -0.01    -0.30   0.16  -0.14
    11   1    -0.07   0.05   0.05    -0.51   0.32   0.10     0.07  -0.04  -0.03
    12   1    -0.07   0.45   0.02    -0.05  -0.16   0.02    -0.02   0.14   0.02
    13   1     0.01  -0.28  -0.19    -0.11   0.26   0.06     0.01  -0.01  -0.01
    14   1    -0.07  -0.07   0.04    -0.06  -0.06   0.04     0.50   0.40  -0.27
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1272.6215              1316.5925              1403.1630
 Red. masses --      1.4807                 1.2357                 1.2749
 Frc consts  --      1.4129                 1.2620                 1.4789
 IR Inten    --      2.5531                12.5220                21.7728
 RamAct Fr= 1--      2.0668                 4.8683                 4.5441
  Dep-P Fr= 1--      0.5126                 0.7373                 0.7007
  Dep-U Fr= 1--      0.6777                 0.8488                 0.8240
 Alpha2 Fr= 1--      0.0096                 0.0011                 0.0039
 Beta2  Fr= 1--      0.2335                 0.6887                 0.6241
 AlphaG Fr= 1--      0.0181                -0.0023                 0.0051
 Gamma2 Fr= 1--     -0.6079                -0.2908                 1.1975
 Delta2 Fr= 1--     -1.1616                 0.5493                -0.2614
 Raman1 Fr= 1--       8.267                 19.473                 18.176
 ROA1   Fr= 1--     -95.530                -10.335                106.595
 CID1   Fr= 1--     -11.555                 -0.531                  5.865
 Raman2 Fr= 1--       2.801                  8.264                  7.489
 ROA2   Fr= 1--      -5.296                -11.373                 30.831
 CID2   Fr= 1--      -1.891                 -1.376                  4.117
 Raman3 Fr= 1--       5.603                 16.529                 14.978
 ROA3   Fr= 1--     -95.530                -10.335                106.595
 CID3   Fr= 1--     -17.050                 -0.625                  7.117
 RC180  Fr= 1--       0.355                  0.698                  0.648
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03    -0.01   0.02  -0.06     0.02   0.01   0.01
     2   6    -0.14  -0.05  -0.08    -0.08   0.04   0.07    -0.03  -0.12   0.04
     3   6     0.07  -0.02   0.03     0.01  -0.00   0.02    -0.01   0.01   0.01
     4   8    -0.00   0.03  -0.01     0.02   0.00  -0.01     0.03   0.00  -0.00
     5   8    -0.00  -0.01   0.04     0.00  -0.04   0.00     0.00   0.01  -0.00
     6   7     0.03   0.01   0.05     0.01  -0.00  -0.03     0.02   0.02  -0.06
     7   8    -0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00  -0.01  -0.00
     8   1     0.45  -0.14  -0.02     0.57  -0.23   0.16     0.10   0.79   0.03
     9   1     0.49   0.03   0.00    -0.44   0.14  -0.09    -0.07  -0.06   0.01
    10   1    -0.49   0.07  -0.02     0.40  -0.06   0.03    -0.22   0.04   0.01
    11   1    -0.19   0.12   0.06    -0.14   0.08   0.03    -0.26   0.15   0.03
    12   1    -0.12   0.27   0.05    -0.01  -0.21  -0.00     0.03  -0.27  -0.04
    13   1    -0.06  -0.08  -0.13    -0.04   0.15   0.06    -0.03   0.30   0.13
    14   1     0.20   0.17  -0.09     0.23   0.17  -0.12    -0.02  -0.01   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1414.9043              1444.8754              1519.8430
 Red. masses --      1.6567                 1.4536                 1.0842
 Frc consts  --      1.9541                 1.7880                 1.4756
 IR Inten    --    394.6915                 2.0591                 2.7722
 RamAct Fr= 1--      2.3896                 0.4554                 4.6998
  Dep-P Fr= 1--      0.2470                 0.4109                 0.7327
  Dep-U Fr= 1--      0.3962                 0.5825                 0.8457
 Alpha2 Fr= 1--      0.0286                 0.0032                 0.0014
 Beta2  Fr= 1--      0.1578                 0.0442                 0.6624
 AlphaG Fr= 1--     -0.0269                 0.0058                -0.0017
 Gamma2 Fr= 1--      0.0273                 0.4297                 0.1977
 Delta2 Fr= 1--      0.1018                 0.1314                -0.0932
 Raman1 Fr= 1--       9.558                  1.822                 18.799
 ROA1   Fr= 1--       5.878                 45.456                 16.002
 CID1   Fr= 1--       0.615                 24.955                  0.851
 Raman2 Fr= 1--       1.893                  0.531                  7.949
 ROA2   Fr= 1--      -0.160                  9.262                  5.491
 CID2   Fr= 1--      -0.084                 17.459                  0.691
 Raman3 Fr= 1--       3.787                  1.061                 15.899
 ROA3   Fr= 1--       5.878                 45.456                 16.002
 CID3   Fr= 1--       1.552                 42.840                  1.006
 RC180  Fr= 1--      -0.208                  0.165                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.16   0.07  -0.03     0.02   0.06  -0.05
     2   6    -0.07  -0.03   0.03     0.05  -0.04   0.01     0.00   0.01  -0.00
     3   6     0.15  -0.06  -0.02    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
     4   8    -0.12   0.01   0.02    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   8     0.01  -0.00   0.00    -0.00  -0.05   0.03     0.00   0.01  -0.00
     6   7     0.02   0.02  -0.02    -0.00   0.00  -0.01     0.00  -0.00   0.01
     7   8    -0.01   0.06   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     8   1     0.12   0.22   0.04    -0.10   0.17  -0.01     0.02  -0.06  -0.00
     9   1    -0.00  -0.02  -0.00     0.63  -0.13   0.03    -0.13  -0.67  -0.03
    10   1    -0.01  -0.00   0.02     0.56  -0.05   0.06    -0.13  -0.19   0.68
    11   1     0.79  -0.44  -0.15    -0.04   0.02   0.00    -0.00   0.00   0.00
    12   1    -0.01  -0.19  -0.00     0.02  -0.02  -0.01    -0.02   0.01   0.01
    13   1    -0.00   0.09   0.02    -0.00   0.06   0.04    -0.00  -0.04  -0.03
    14   1     0.03   0.02  -0.01     0.31   0.24  -0.16    -0.01  -0.00   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1667.0515              1836.6731              2980.2718
 Red. masses --      1.0902                 9.7208                 1.0693
 Frc consts  --      1.7850                19.3203                 5.5959
 IR Inten    --     36.7159               312.4880                44.1429
 RamAct Fr= 1--      3.3286                12.2852               126.2217
  Dep-P Fr= 1--      0.6280                 0.2433                 0.1226
  Dep-U Fr= 1--      0.7715                 0.3914                 0.2185
 Alpha2 Fr= 1--      0.0074                 0.1483                 2.0901
 Beta2  Fr= 1--      0.4280                 0.8015                 4.5956
 AlphaG Fr= 1--      0.0048                 0.0989                -0.1404
 Gamma2 Fr= 1--      0.0865                 0.3092                 1.2775
 Delta2 Fr= 1--     -0.0611                 0.1338                 1.6266
 Raman1 Fr= 1--      13.314                 49.141                504.887
 ROA1   Fr= 1--       6.351                 33.963                174.695
 CID1   Fr= 1--       0.477                  0.691                  0.346
 Raman2 Fr= 1--       5.136                  9.618                 55.147
 ROA2   Fr= 1--       2.566                  6.350                 17.647
 CID2   Fr= 1--       0.500                  0.660                  0.320
 Raman3 Fr= 1--      10.272                 19.235                110.295
 ROA3   Fr= 1--       6.351                 33.963                174.695
 CID3   Fr= 1--       0.618                  1.766                  1.584
 RC180  Fr= 1--       0.543                 -0.217                 -0.563
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.01   0.02  -0.01     0.00   0.01  -0.07
     2   6    -0.03   0.01  -0.01    -0.02  -0.04   0.01    -0.00  -0.00   0.01
     3   6     0.01  -0.01  -0.00     0.18   0.70  -0.02     0.00   0.00  -0.00
     4   8    -0.00   0.00   0.00    -0.04  -0.06   0.01    -0.00  -0.00   0.00
     5   8     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
     6   7    -0.03  -0.06  -0.02    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.11  -0.43   0.01    -0.00  -0.00   0.00
     8   1     0.02  -0.04  -0.00    -0.00   0.02   0.00     0.02  -0.01  -0.12
     9   1    -0.00  -0.02  -0.00     0.04  -0.02  -0.02    -0.07   0.02   0.96
    10   1    -0.01  -0.00   0.02     0.06   0.02   0.01    -0.03  -0.19  -0.09
    11   1     0.02  -0.02  -0.02     0.47  -0.20  -0.09     0.00  -0.00  -0.00
    12   1     0.43   0.53  -0.17    -0.00   0.01   0.00     0.00   0.01   0.00
    13   1     0.22   0.31   0.59     0.02  -0.03   0.01     0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00     0.03   0.02  -0.01     0.01   0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3045.3174              3076.2338              3447.4961
 Red. masses --      1.0819                 1.0941                 1.0641
 Frc consts  --      5.9115                 6.1003                 7.4515
 IR Inten    --      6.6796                19.6530               254.2070
 RamAct Fr= 1--     59.6407                67.9842                69.1156
  Dep-P Fr= 1--      0.2933                 0.2334                 0.0763
  Dep-U Fr= 1--      0.4536                 0.3785                 0.1418
 Alpha2 Fr= 1--      0.6240                 0.8437                 1.2818
 Beta2  Fr= 1--      4.5084                 4.2884                 1.6334
 AlphaG Fr= 1--     -0.0935                -0.5971                 0.0969
 Gamma2 Fr= 1--      1.0671                -4.0230                 0.7023
 Delta2 Fr= 1--      2.0924                -2.9867                 1.3793
 Raman1 Fr= 1--     238.563                271.937                276.462
 ROA1   Fr= 1--     169.402               -481.784                111.554
 CID1   Fr= 1--       0.710                 -1.772                  0.404
 Raman2 Fr= 1--      54.101                 51.461                 19.601
 ROA2   Fr= 1--       8.872                -72.660                  5.820
 CID2   Fr= 1--       0.164                 -1.412                  0.297
 Raman3 Fr= 1--     108.201                102.922                 39.201
 ROA3   Fr= 1--     169.402               -481.784                111.554
 CID3   Fr= 1--       1.566                 -4.681                  2.846
 RC180  Fr= 1--      -0.093                 -0.243                 -0.716
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.00    -0.01  -0.07  -0.04     0.00  -0.00   0.00
     2   6     0.01  -0.00  -0.08     0.00  -0.00  -0.02    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
     4   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.05   0.00
     5   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   7    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   1    -0.12   0.03   0.96    -0.02   0.00   0.18    -0.00  -0.00  -0.00
     9   1    -0.00   0.00   0.08    -0.01  -0.01   0.21     0.00   0.00  -0.00
    10   1    -0.03  -0.19  -0.07     0.11   0.90   0.31     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.42   0.89  -0.04
    12   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.03   0.01   0.11
    13   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.07   0.04  -0.05
    14   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3489.5718              3575.2885              3819.9422
 Red. masses --      1.0535                 1.0893                 1.0666
 Frc consts  --      7.5587                 8.2039                 9.1698
 IR Inten    --      0.6421                11.0645                41.5137
 RamAct Fr= 1--     71.3710                48.9941               103.2020
  Dep-P Fr= 1--      0.0962                 0.5109                 0.2230
  Dep-U Fr= 1--      0.1755                 0.6763                 0.3647
 Alpha2 Fr= 1--      1.2612                 0.2297                 1.3176
 Beta2  Fr= 1--      2.0882                 5.5223                 6.2726
 AlphaG Fr= 1--     -0.0683                 0.0677                 0.0256
 Gamma2 Fr= 1--     -1.8534                 1.2057                -0.3437
 Delta2 Fr= 1--     -0.6957                -0.3543                 0.0600
 Raman1 Fr= 1--     285.484                195.976                412.808
 ROA1   Fr= 1--    -200.190                104.410                -31.080
 CID1   Fr= 1--      -0.701                  0.533                 -0.075
 Raman2 Fr= 1--      25.058                 66.267                 75.271
 ROA2   Fr= 1--     -38.916                 31.771                 -8.730
 CID2   Fr= 1--      -1.553                  0.479                 -0.116
 Raman3 Fr= 1--      50.117                132.535                150.542
 ROA3   Fr= 1--    -200.190                104.410                -31.080
 CID3   Fr= 1--      -3.994                  0.788                 -0.206
 RC180  Fr= 1--      -0.649                  0.353                 -0.271
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   8     0.00   0.01  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05   0.04  -0.02
     6   7    -0.03  -0.02  -0.04    -0.03  -0.03   0.06     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.00
     9   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   1    -0.06  -0.12   0.00    -0.01  -0.03   0.00    -0.00  -0.00   0.00
    12   1     0.20   0.07   0.86    -0.13  -0.04  -0.42    -0.00   0.00  -0.00
    13   1     0.29   0.22  -0.26     0.62   0.43  -0.48     0.00   0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.73  -0.61   0.31

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   388.76435 972.127941302.98985
           X            0.99962  -0.02684   0.00649
           Y            0.02687   0.99963  -0.00380
           Z           -0.00639   0.00397   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.22279     0.08910     0.06647
 Rotational constants (GHZ):           4.64225     1.85649     1.38508
 Zero-point vibrational energy     297188.5 (Joules/Mol)
                                   71.02976 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     98.19   168.30   288.12   351.38   409.78
          (Kelvin)            462.62   534.81   616.06   758.07   883.59
                             1061.30  1228.57  1238.45  1278.06  1388.57
                             1509.03  1569.44  1601.06  1709.85  1747.23
                             1781.65  1831.02  1894.28  2018.84  2035.73
                             2078.85  2186.72  2398.52  2642.56  4287.95
                             4381.53  4426.01  4960.18  5020.72  5144.04
                             5496.04
 
 Zero-point correction=                           0.113193 (Hartree/Particle)
 Thermal correction to Energy=                    0.120895
 Thermal correction to Enthalpy=                  0.121839
 Thermal correction to Gibbs Free Energy=         0.081041
 Sum of electronic and zero-point Energies=           -399.039687
 Sum of electronic and thermal Energies=              -399.031985
 Sum of electronic and thermal Enthalpies=            -399.031040
 Sum of electronic and thermal Free Energies=         -399.071838
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   75.863             26.963             85.867
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.690
 Vibrational             74.085             21.001             18.313
 Vibration     1          0.598              1.969              4.203
 Vibration     2          0.608              1.935              3.150
 Vibration     3          0.638              1.840              2.131
 Vibration     4          0.660              1.772              1.772
 Vibration     5          0.683              1.702              1.505
 Vibration     6          0.707              1.632              1.302
 Vibration     7          0.743              1.530              1.073
 Vibration     8          0.790              1.409              0.865
 Vibration     9          0.882              1.190              0.594
 Vibration    10          0.974              1.002              0.426
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.529199D-37        -37.276381        -85.832039
 Total V=0       0.614892D+15         14.788799         34.052468
 Vib (Bot)       0.497847D-50        -50.302904       -115.826717
 Vib (Bot)    1  0.302264D+01          0.480387          1.106132
 Vib (Bot)    2  0.174828D+01          0.242610          0.558631
 Vib (Bot)    3  0.995605D+00         -0.001913         -0.004404
 Vib (Bot)    4  0.801323D+00         -0.096193         -0.221492
 Vib (Bot)    5  0.673315D+00         -0.171782         -0.395542
 Vib (Bot)    6  0.584095D+00         -0.233516         -0.537691
 Vib (Bot)    7  0.489209D+00         -0.310506         -0.714966
 Vib (Bot)    8  0.407503D+00         -0.389869         -0.897706
 Vib (Bot)    9  0.304419D+00         -0.516529         -1.189352
 Vib (Bot)   10  0.239602D+00         -0.620510         -1.428776
 Vib (V=0)       0.578464D+02          1.762276          4.057791
 Vib (V=0)    1  0.356372D+01          0.551904          1.270805
 Vib (V=0)    2  0.231837D+01          0.365183          0.840865
 Vib (V=0)    3  0.161411D+01          0.207932          0.478781
 Vib (V=0)    4  0.144452D+01          0.159724          0.367777
 Vib (V=0)    5  0.133866D+01          0.126671          0.291670
 Vib (V=0)    6  0.126887D+01          0.103419          0.238130
 Vib (V=0)    7  0.119952D+01          0.079007          0.181920
 Vib (V=0)    8  0.114503D+01          0.058815          0.135428
 Vib (V=0)    9  0.108538D+01          0.035582          0.081931
 Vib (V=0)   10  0.105444D+01          0.023024          0.053014
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.251201D+06          5.400021         12.434008
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        3 3 3           33 2                                     1     1    1 111  11111 11 1                                  
     8        5 4 4           00 9                                     8     6    5 444  32221 10 0 9 888   7   6  5  4 3 322 2  1   
     2        7 9 4           74 8                                     3     6    2 410  17318 19 4 6 865   3   1  2  2 7 284 0  16  
     0        5 0 7           65 0                                     7     7    0 553  73848 31 9 5 814   8   4  7  8 2 254 0  78  
 
     X        X X X           XX X                                     X     X    X XXX  XXXXX XX X X XXX   X   X  X  X X XXX X  XX  
     X            X              X                                     X     X       X         X  X X X X                   X        
                  X                                                    X             X            X X X X                   X        
                  X                                                    X             X            X   X X                   X        
                  X                                                    X             X            X                         X        
                  X                                                    X             X                                      X        
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                                     X                                               
                                                                                     X                                               
                                                                                     X                                               
                                                                                     X                                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000020648    0.000002176    0.000006413
      2        6          -0.000017274    0.000010208   -0.000002417
      3        6           0.000024474    0.000008749   -0.000000153
      4        8           0.000004918    0.000014862   -0.000000745
      5        8          -0.000019927   -0.000006786   -0.000004611
      6        7          -0.000002180   -0.000005458   -0.000009011
      7        8          -0.000005130   -0.000011841    0.000001402
      8        1          -0.000000218    0.000000379    0.000000097
      9        1          -0.000000365   -0.000001680    0.000000984
     10        1           0.000000872    0.000000190   -0.000001714
     11        1          -0.000010690   -0.000012380    0.000001031
     12        1           0.000002003    0.000000976    0.000002479
     13        1           0.000003500   -0.000000120    0.000001222
     14        1          -0.000000632    0.000000725    0.000005021
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000024474 RMS     0.000008278
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.648191D+02 -0.196378D+00 -0.598128D+00
      2  -0.196378D+00  0.638136D+02 -0.138129D+00
      3  -0.598128D+00 -0.138129D+00  0.476750D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.485850D+00 -0.176045D+01 -0.111746D+01
      2   0.225811D+01 -0.761708D+00  0.106308D+02
      3   0.538715D+01  0.512212D+01  0.168815D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.277762D+02 -0.250786D+01 -0.124440D+01
      2  -0.187285D+02  0.928174D+00 -0.193815D+01
      3  -0.904765D+01  0.157969D+01  0.318255D+01
      4   0.811855D+00 -0.931605D+01 -0.330957D+01
      5   0.278956D+01 -0.526260D+01  0.234785D+02
      6  -0.218737D+01  0.186020D+01  0.564873D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.626384D+00 -0.220772D+01  0.108149D+01 -0.300677D+01  0.143209D+01
      2  -0.220772D+01  0.234393D+01 -0.346403D+00  0.143209D+01  0.418623D+01
      3   0.108149D+01 -0.346403D+00  0.149459D+01 -0.729346D-01  0.176446D+01
                 6             7             8             9            10 
      1  -0.729346D-01  0.181468D+01 -0.282333D+00  0.114555D+01  0.131719D+01
      2   0.176446D+01 -0.282333D+00  0.198513D+01  0.809603D+00  0.311761D+01
      3   0.663046D+00  0.114555D+01  0.809603D+00 -0.766338D+01 -0.803211D+00
                11            12            13            14            15 
      1   0.311761D+01 -0.803211D+00  0.283832D+01 -0.336590D+00  0.899979D-01
      2  -0.178846D+01  0.506952D+00 -0.336590D+00 -0.301700D+01 -0.890917D+00
      3   0.506952D+00 -0.538527D+00  0.899979D-01 -0.890917D+00  0.382537D+00
                16            17            18            19            20 
      1  -0.612176D+00  0.100875D+01 -0.913644D+00 -0.230105D+01 -0.159436D+01
      2   0.100875D+01 -0.134223D+01 -0.126248D+00 -0.159436D+01  0.179847D+01
      3  -0.913644D+00 -0.126248D+00  0.701847D+01 -0.572321D-01 -0.270679D-01
                21            22            23            24            25 
      1  -0.572321D-01  0.521242D-01  0.175616D+01  0.246300D-01  0.634032D-01
      2  -0.270679D-01  0.175616D+01  0.597142D+01  0.630959D-02  0.513584D-01
      3  -0.294990D+00  0.246300D-01  0.630959D-02  0.620590D+00 -0.233463D+00
                26            27            28            29            30 
      1   0.513584D-01 -0.233463D+00 -0.775247D+01  0.148352D+01  0.367640D+00
      2   0.382069D+00  0.319361D+00  0.148352D+01 -0.277610D+01 -0.181845D+00
      3   0.319361D+00 -0.501406D+00  0.367640D+00 -0.181845D+00 -0.926310D+00
                31            32            33            34            35 
      1  -0.203915D+01 -0.331560D+01 -0.515882D-01  0.856317D+00 -0.111751D+00
      2  -0.331560D+01 -0.456866D+00  0.175336D+00 -0.111751D+00  0.119693D+00
      3  -0.515882D-01  0.175336D+00  0.510718D+00 -0.161611D+01  0.128306D+01
                36            37            38            39            40 
      1  -0.161611D+01  0.185281D+01  0.272122D+01 -0.153519D+01  0.580044D+01
      2   0.128306D+01  0.272122D+01 -0.973140D+00  0.515414D+00 -0.461403D+00
      3   0.651762D+00 -0.153519D+01  0.515414D+00 -0.495418D+00  0.556786D+00
                41            42            43            44            45 
      1  -0.461403D+00  0.556786D+00 -0.349497D+01  0.709776D+00  0.920556D+00
      2   0.222334D+01 -0.107679D+01  0.709776D+00 -0.103058D+01  0.574248D+00
      3  -0.107679D+01  0.510655D+00  0.920556D+00  0.574248D+00 -0.690513D+00
                46            47            48            49            50 
      1  -0.235540D+01 -0.186076D+01  0.101265D+01 -0.126083D+01 -0.153147D+01
      2  -0.186076D+01 -0.159018D+01  0.586119D-01 -0.153147D+01  0.520811D+01
      3   0.101265D+01  0.586119D-01 -0.188562D+01  0.330957D+00  0.713597D+00
                51            52            53            54            55 
      1   0.330957D+00  0.119314D+01  0.327272D+00 -0.195956D+01 -0.227769D+01
      2   0.713597D+00  0.327272D+00  0.683663D+00 -0.620154D+00 -0.322424D+01
      3  -0.606606D+00 -0.195956D+01 -0.620154D+00 -0.410652D+01 -0.374772D-02
                56            57            58            59            60 
      1  -0.322424D+01 -0.374772D-02 -0.408703D+01 -0.241959D+01 -0.650676D-02
      2  -0.291568D+01 -0.140429D+00 -0.241959D+01 -0.129711D+02  0.251595D-01
      3  -0.140429D+00 -0.419847D+00 -0.650676D-02  0.251595D-01 -0.248178D+01
                61            62            63            64            65 
      1  -0.465278D-01  0.539093D-01 -0.100609D+01  0.414982D+00 -0.569901D+00
      2   0.539093D-01  0.226701D+00 -0.311308D+01 -0.569901D+00  0.476646D+00
      3  -0.100609D+01 -0.311308D+01  0.125259D+00 -0.108932D+01 -0.774833D-01
                66            67            68            69            70 
      1  -0.108932D+01 -0.834395D+00  0.362917D+00  0.592213D-01 -0.189699D+01
      2  -0.774833D-01  0.362917D+00  0.602748D+00 -0.111241D+01 -0.229420D+00
      3   0.867688D+00  0.592213D-01 -0.111241D+01 -0.213316D+00  0.745861D+00
                71            72            73            74            75 
      1  -0.229420D+00  0.745861D+00 -0.457901D+00  0.186063D+00  0.121954D+01
      2  -0.144804D+01  0.219496D+00  0.186063D+00 -0.320638D+00  0.121017D+00
      3   0.219496D+00 -0.846185D+01  0.121954D+01  0.121017D+00 -0.829812D+00
                76            77            78            79            80 
      1   0.553049D+00 -0.247264D+00  0.831709D-02  0.197603D+01 -0.197835D+00
      2  -0.247264D+00 -0.816217D+00  0.107175D+01 -0.197835D+00  0.126845D+01
      3   0.831709D-02  0.107175D+01  0.445315D-01 -0.225406D+00 -0.111650D+01
                81            82            83            84            85 
      1  -0.225406D+00 -0.672932D+00 -0.936364D+00 -0.607870D+00 -0.145823D+01
      2  -0.111650D+01 -0.936364D+00 -0.332461D+00  0.384953D-01 -0.831514D-01
      3   0.882093D+01 -0.607870D+00  0.384953D-01 -0.128791D+00 -0.364367D-01
                86            87            88            89            90 
      1  -0.831514D-01 -0.364367D-01 -0.112462D+01  0.885652D-01 -0.192231D+00
      2  -0.792582D+01 -0.119400D+01  0.885652D-01 -0.177478D+01 -0.145580D+01
      3  -0.119400D+01 -0.126422D+01 -0.192231D+00 -0.145580D+01 -0.210979D+00
                91            92            93            94            95 
      1   0.242863D+01  0.174032D+01 -0.126502D+00  0.436630D+01  0.154668D+00
      2   0.174032D+01  0.732082D+00  0.997692D-01  0.154668D+00  0.459060D+01
      3  -0.126502D+00  0.997692D-01 -0.347710D+00 -0.703245D-01  0.928843D-01
                96            97            98            99           100 
      1  -0.703245D-01 -0.293577D+00 -0.889914D-01 -0.566950D+00  0.303002D+00
      2   0.928843D-01 -0.889914D-01 -0.102263D+00  0.501284D+00  0.780131D+00
      3   0.832938D+00 -0.566950D+00  0.501284D+00  0.506779D-01  0.775245D+00
               101           102           103           104           105 
      1   0.780131D+00  0.775245D+00  0.544527D+00  0.355668D+00  0.393445D+00
      2   0.568858D+00  0.655092D+00  0.355668D+00  0.964684D+00  0.784748D+00
      3   0.655092D+00  0.110598D+01  0.393445D+00  0.784748D+00  0.660878D+00
               106           107           108           109           110 
      1   0.151611D+01  0.483243D+00  0.147420D+01  0.298892D+01  0.255715D+01
      2   0.483243D+00  0.219519D+01  0.189896D+01  0.255715D+01  0.299550D+01
      3   0.147420D+01  0.189896D+01  0.595594D+01 -0.109607D+01 -0.839325D+00
               111           112           113           114           115 
      1  -0.109607D+01  0.268036D+01  0.201580D+01 -0.709525D+00 -0.204861D+01
      2  -0.839325D+00  0.201580D+01  0.324667D+01 -0.893866D+00 -0.111839D+01
      3   0.129013D+01 -0.709525D+00 -0.893866D+00  0.101430D+01  0.126988D+01
               116           117           118           119           120 
      1  -0.111839D+01  0.126988D+01  0.713829D+01 -0.219267D+01  0.862572D+00
      2  -0.182660D+01  0.129415D+01 -0.219267D+01  0.178117D+01 -0.382799D+00
      3   0.129415D+01 -0.135917D+01  0.862572D+00 -0.382799D+00  0.110863D+01
               121           122           123           124           125 
      1  -0.414871D+01  0.231778D+01 -0.516038D+00  0.209779D+01 -0.694158D+00
      2   0.231778D+01 -0.180682D+01  0.533747D+00 -0.694158D+00  0.663597D+00
      3  -0.516038D+00  0.533747D+00 -0.674279D+00  0.115741D+01 -0.468384D+00
               126 
      1   0.115741D+01
      2  -0.468384D+00
      3   0.370784D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.137908D+01  0.487393D+00  0.236781D+01 -0.752138D+00  0.674854D+01
      2   0.222503D+01 -0.108794D+01  0.772099D+00 -0.245536D+00  0.811261D+00
      3   0.310267D+01  0.385372D-01 -0.543337D-01  0.614801D+01 -0.667805D+01
                 6             7             8             9            10 
      1  -0.126356D+01  0.136480D+01  0.304230D+01 -0.696892D+01 -0.150546D+01
      2  -0.326159D+00 -0.181938D+01  0.957296D+00 -0.580973D+01  0.121057D+01
      3  -0.209116D+01 -0.222296D+01 -0.253066D+01 -0.222348D+01  0.499322D+00
                11            12            13            14            15 
      1   0.584891D+00 -0.695642D+00  0.711812D+00  0.156855D+00 -0.599973D+00
      2  -0.322251D+00  0.364291D+01  0.220928D+01 -0.176772D+01  0.105581D+01
      3  -0.525966D+01  0.426815D+00  0.248202D-01  0.601894D+00  0.665469D+00
                16            17            18            19            20 
      1  -0.106460D+01  0.460754D+01  0.335925D+00  0.802103D+00  0.629456D+00
      2  -0.279378D+01  0.289528D+00  0.375814D+00 -0.439126D+01 -0.232469D+00
      3  -0.853885D+00  0.110742D+01  0.541027D+00 -0.547574D+01  0.597757D-01
                21            22            23            24            25 
      1   0.572506D+00  0.185908D+01  0.112683D+00  0.913040D+01 -0.144841D+00
      2  -0.574544D+01 -0.759280D+00  0.116084D+01 -0.231447D+01 -0.178081D+02
      3  -0.113557D+00 -0.406943D+00  0.948013D+01 -0.156943D+01  0.190151D+01
                26            27            28            29            30 
      1   0.930859D+01  0.586508D-02 -0.746375D+00 -0.580678D+00  0.272919D+01
      2  -0.199037D+01  0.326299D+01  0.495409D+00  0.246920D+00  0.753665D+01
      3  -0.198446D+01  0.105726D+01 -0.596276D+01 -0.148358D+02 -0.561393D-02
                31            32            33            34            35 
      1  -0.240660D+00 -0.454275D+00 -0.397320D+01  0.707319D+00  0.205720D+01
      2   0.884153D+00 -0.235307D+00 -0.699799D+00  0.523520D+01 -0.997711D+00
      3  -0.106770D+02 -0.732142D+01  0.245978D+00  0.180277D+00  0.176626D+01
                36            37            38            39            40 
      1  -0.472497D+00 -0.558119D+00 -0.632898D+00 -0.167697D+01  0.784486D+00
      2  -0.200792D+01 -0.587659D+01  0.150857D+01  0.436037D+01  0.203143D+01
      3   0.188188D+01 -0.116702D+02 -0.322896D+01 -0.713998D+00  0.396293D+01
                41            42            43            44            45 
      1  -0.756627D+00 -0.195508D+01  0.633293D-01  0.315409D+01 -0.540420D-01
      2  -0.239408D+01  0.352861D+01 -0.349307D+01  0.194576D+01 -0.356558D+01
      3  -0.857696D+01  0.228372D+01 -0.670166D+00  0.360307D+01 -0.201993D+01
                46            47            48            49            50 
      1  -0.245469D+01 -0.100076D+01  0.468681D+01 -0.208905D+01 -0.334742D+01
      2   0.916793D-01  0.150699D+01  0.373256D+01  0.261920D+00  0.743202D+00
      3  -0.515807D+01 -0.109497D+02  0.151243D+01  0.199301D+01 -0.219002D+01
                51            52            53            54            55 
      1  -0.323660D+01  0.524476D+01  0.637921D+01  0.765594D+01  0.293261D+00
      2  -0.680205D+00 -0.361897D+01 -0.536217D+00  0.321693D+00  0.208940D+00
      3   0.720415D+00  0.303546D+01  0.931076D+00 -0.465534D+01  0.292316D+00
                56            57            58            59            60 
      1   0.234428D+00 -0.310462D+01 -0.923966D-01  0.879483D+00 -0.110243D+02
      2   0.165283D+00  0.515372D+01 -0.846076D+00 -0.609312D+00  0.471943D+01
      3  -0.499045D+01 -0.116948D+00  0.975018D+01 -0.183385D+02  0.467525D+00
                61            62            63            64            65 
      1  -0.453132D+00  0.115155D+01  0.388406D+00  0.400639D+00 -0.712213D+00
      2   0.230555D+01  0.452777D+01 -0.120478D+01  0.780669D+00 -0.106746D+00
      3  -0.124255D+01  0.497252D+00 -0.436353D+01  0.351531D+00 -0.665209D+00
                66            67            68            69            70 
      1   0.156084D+00 -0.599486D+00 -0.473269D+00 -0.176448D+00  0.179826D+00
      2   0.450570D+00 -0.278176D+00  0.362043D+00 -0.386986D+00 -0.246216D+01
      3  -0.244006D+00  0.110291D+01 -0.186635D+00  0.257485D+00 -0.146621D+00
                71            72            73            74            75 
      1   0.282625D+01  0.103009D+01  0.103403D+01 -0.504234D+00 -0.323933D+00
      2  -0.954147D-01 -0.167722D+01  0.217132D+01  0.377206D+00 -0.639881D+00
      3   0.254255D+00  0.335958D+00  0.522415D+00 -0.692591D+00 -0.115622D+01
                76            77            78            79            80 
      1  -0.401064D+00  0.527667D+00 -0.250242D+00 -0.580532D+00  0.261519D+01
      2  -0.541509D-01  0.155569D+01 -0.208193D+00 -0.463847D+01 -0.939321D+00
      3   0.533024D+00  0.909932D+00 -0.116033D+01 -0.153409D+01 -0.112047D+01
                81            82            83            84            85 
      1   0.814713D+01 -0.102029D+01 -0.263917D-01 -0.280375D+00 -0.218217D+00
      2   0.953112D+01 -0.597656D+00  0.237764D+00  0.525413D+00 -0.308422D+00
      3   0.165551D+01  0.261893D+01  0.154257D+01  0.691129D+00  0.513141D+01
                86            87            88            89            90 
      1  -0.398694D+01 -0.402303D+01 -0.347165D+00 -0.135797D+01 -0.107666D+01
      2  -0.719230D+00 -0.111176D+01 -0.119856D+01 -0.125309D+01 -0.407559D+00
      3   0.964079D+01  0.180368D+01  0.190778D+01  0.205052D+01  0.195873D+01
                91            92            93            94            95 
      1   0.641606D+00  0.386300D+00  0.862715D+00  0.342690D+00  0.681059D+00
      2  -0.615412D+00 -0.528078D+00 -0.147517D+01 -0.425948D+00 -0.581599D+00
      3   0.859233D+01  0.921177D+01 -0.550087D-01  0.120051D+02  0.145852D+02
                96            97            98            99           100 
      1  -0.106701D+01  0.841715D+00  0.106318D+01  0.207006D+00 -0.127965D+01
      2  -0.217228D+01 -0.213557D+01 -0.145210D+01  0.961161D-01 -0.480774D+00
      3   0.329894D+00 -0.498294D+00 -0.886883D+00 -0.258284D+00  0.620514D+00
               101           102           103           104           105 
      1  -0.661817D+00 -0.273220D+01 -0.332836D+00 -0.176697D+01 -0.191189D+01
      2   0.120172D+00  0.407287D+00  0.174293D+00 -0.101642D+00  0.346158D+00
      3   0.849043D+00  0.100437D+01  0.172240D+01  0.551228D+00  0.513880D+00
               106           107           108           109           110 
      1  -0.368501D+01 -0.169375D+01 -0.121048D+02  0.239375D+01  0.184565D+01
      2  -0.189955D+01  0.521590D+00  0.763676D+00  0.563431D+00 -0.220786D+00
      3   0.300334D+01  0.960901D-01  0.299298D+01  0.641990D+01  0.323815D+01
               111           112           113           114           115 
      1  -0.344563D+01  0.169892D+01  0.168368D+01 -0.231282D+01 -0.274068D+01
      2   0.963272D+00 -0.958708D-01 -0.957077D-01  0.782813D+00 -0.670788D+00
      3  -0.222222D+01  0.608027D+01  0.235546D+01 -0.128245D+01 -0.474441D+01
               116           117           118           119           120 
      1  -0.149726D+01  0.244954D+01  0.620120D+00 -0.491247D-01  0.884250D+00
      2   0.397133D+00 -0.729262D+00  0.391529D+01 -0.172999D+01  0.416121D+01
      3  -0.143591D+01  0.222685D+01  0.534545D+01 -0.622590D+01  0.111665D+01
               121           122           123           124           125 
      1  -0.371784D+00  0.608922D-01 -0.118183D+01  0.515641D+00  0.252368D+00
      2  -0.254762D+01  0.187156D+01 -0.253296D+01  0.258527D+01 -0.127520D+01
      3  -0.495774D+01  0.506728D+01 -0.148353D+01  0.188461D+01 -0.234756D+01
               126 
      1   0.387507D+00
      2   0.134948D+01
      3   0.870375D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.149579D+02 -0.960930D+00 -0.841538D+00 -0.844337D+01  0.129423D+02
      2   0.811775D+01 -0.234613D+01 -0.450334D+01  0.413011D+01 -0.181230D+02
      3   0.684013D+01  0.330706D+01  0.534488D+01  0.431326D+01  0.518070D+01
      4  -0.459398D+01  0.137778D+01 -0.189889D+01  0.684103D+01  0.667546D+01
      5   0.444931D+01 -0.182387D+01 -0.239134D+01  0.601999D+00  0.398866D+01
      6  -0.394226D+01  0.210563D+01 -0.313675D+01  0.896206D+00 -0.610155D+01
                 6             7             8             9            10 
      1   0.218718D+01  0.626766D+01  0.146095D+01  0.165425D+02 -0.341798D+01
      2  -0.573097D+01 -0.488603D+01 -0.438306D+01  0.292833D+01  0.500385D+01
      3   0.354379D+01 -0.138163D+01  0.292211D+01 -0.194708D+02 -0.158587D+01
      4   0.345244D+01 -0.468574D+00  0.510372D+01  0.717067D+00  0.909376D+00
      5  -0.287300D+00  0.300477D+01  0.206605D+01 -0.144708D+02 -0.600337D+00
      6   0.404344D+00 -0.121156D+01 -0.126216D+01  0.853890D+01  0.120696D+01
                11            12            13            14            15 
      1   0.176205D+01 -0.107205D+01  0.157540D+01  0.352098D+01  0.976642D+00
      2  -0.144173D+01  0.127426D+00 -0.440120D+00 -0.728468D+01 -0.833939D+00
      3  -0.320317D+00  0.944627D+00 -0.113528D+01  0.376370D+01 -0.142703D+00
      4   0.187774D+01  0.428366D+00 -0.663545D+01 -0.127068D+00 -0.112317D+01
      5   0.785565D+00  0.748375D+00  0.271892D-01 -0.587017D+00  0.102052D+01
      6  -0.169498D+01  0.268249D+00 -0.221769D+01  0.112657D+00 -0.315872D+01
                16            17            18            19            20 
      1  -0.509176D+01  0.114059D+01  0.647955D+01 -0.468175D+01  0.906596D+01
      2   0.432696D+00 -0.391020D+01  0.104605D+02  0.416523D+00 -0.939130D+01
      3   0.465906D+01  0.276961D+01 -0.169401D+02  0.426523D+01  0.325347D+00
      4  -0.216294D+01 -0.124997D+01  0.902160D+00  0.244903D+01 -0.118239D+02
      5  -0.130162D+01 -0.339905D+00  0.721131D+01 -0.305209D+00 -0.143610D+01
      6   0.425608D+00  0.105070D+01  0.977862D+00 -0.412665D+00  0.159705D+00
                21            22            23            24            25 
      1  -0.804123D+00  0.392495D-01  0.812099D+01  0.269821D-01  0.156311D+01
      2  -0.147637D+01 -0.363419D+01 -0.191779D+02  0.596959D+00 -0.202100D+01
      3   0.228049D+01  0.359495D+01  0.110569D+02 -0.623942D+00  0.457889D+00
      4  -0.657938D+00 -0.205000D+02 -0.227469D+02  0.136956D+00 -0.103875D+00
      5  -0.681171D+01 -0.155460D+01 -0.710259D+00 -0.203512D+01  0.170177D+01
      6   0.981519D+00 -0.522649D+00 -0.116202D+01 -0.139496D+02 -0.254520D+00
                26            27            28            29            30 
      1  -0.202455D+01 -0.469057D+01  0.415025D+02 -0.728635D+01 -0.435676D+00
      2   0.131391D+01 -0.644581D+01 -0.251344D+02  0.118394D+01  0.989042D+00
      3   0.710642D+00  0.111364D+02 -0.163681D+02  0.610241D+01 -0.553366D+00
      4   0.225161D+01 -0.224163D+01 -0.193254D+02  0.176787D+02  0.763644D+00
      5  -0.156896D+01  0.290710D+01 -0.157927D+01  0.356192D+00  0.140138D+02
      6   0.325619D+01 -0.440050D-01  0.514024D+00 -0.449994D+00 -0.470961D+01
                31            32            33            34            35 
      1   0.434392D+01  0.863042D+01 -0.812448D+00 -0.121694D+01  0.236888D+00
      2  -0.620757D+01 -0.182179D+01  0.316058D+00  0.165727D+01  0.310301D+00
      3   0.186364D+01 -0.680863D+01  0.496390D+00 -0.440334D+00 -0.547189D+00
      4   0.147043D+02 -0.511910D+01 -0.103947D+01  0.114476D+01 -0.126199D+01
      5  -0.742899D+00 -0.128131D+01 -0.328706D+01  0.134630D+02 -0.616581D+01
      6  -0.840557D+00  0.773544D+00  0.803053D+01 -0.199394D+01  0.567892D+01
                36            37            38            39            40 
      1   0.465153D+01  0.153561D+02  0.146331D+02 -0.660713D+01  0.310377D+02
      2  -0.750038D+01 -0.111870D+02 -0.593511D+01  0.639111D+01 -0.160301D+02
      3   0.284885D+01 -0.416915D+01 -0.869799D+01  0.216021D+00 -0.150075D+02
      4  -0.548488D+01  0.174614D+02  0.226555D+01  0.373779D+01 -0.267556D+01
      5  -0.359565D+01 -0.107082D+02  0.337915D+01  0.865567D+01  0.365867D+01
      6   0.111099D+01  0.230359D+01 -0.742365D+00  0.115963D+01 -0.746140D+00
                41            42            43            44            45 
      1  -0.515302D+01  0.280527D+01 -0.180990D+02  0.340897D+01  0.135624D+00
      2   0.524147D+01  0.261795D+00  0.965292D+01 -0.140121D+01 -0.630989D+01
      3  -0.884512D-01 -0.306707D+01  0.844604D+01 -0.200776D+01  0.617427D+01
      4   0.140763D+02 -0.577351D+01  0.657403D+01 -0.675676D+01  0.284086D+01
      5  -0.513754D+01  0.506984D+01  0.951190D+01  0.370348D+01 -0.685251D+01
      6   0.158874D+01  0.363986D+01 -0.550165D+00  0.342648D+01  0.102868D+01
                46            47            48            49            50 
      1   0.121394D+02  0.774193D+00  0.151897D+01  0.162758D+01 -0.173451D+02
      2  -0.115776D+02 -0.503043D+01  0.133132D+01 -0.536285D+01  0.271571D+02
      3  -0.561850D+00  0.425624D+01 -0.285028D+01  0.373528D+01 -0.981203D+01
      4  -0.904049D+01 -0.464623D+01  0.307999D+01  0.933997D+00 -0.484344D+01
      5   0.178954D+01  0.123525D+01  0.143527D+01  0.936951D+00  0.632018D+00
      6   0.451760D+01  0.227553D+01 -0.816880D+01  0.297826D+01  0.460553D+01
                51            52            53            54            55 
      1  -0.112297D+01  0.249844D-01  0.540114D+00  0.233266D+00  0.111922D+02
      2   0.351404D+01  0.286278D+01  0.400406D+01  0.332712D+00 -0.200172D+01
      3  -0.239107D+01 -0.288777D+01 -0.454417D+01 -0.565978D+00 -0.919051D+01
      4   0.170362D+01  0.431646D+01  0.231230D+01 -0.813472D+01  0.173383D+02
      5  -0.222960D+01  0.132296D+01 -0.290407D+01 -0.368922D+01  0.855847D+00
      6   0.340018D+01 -0.938014D+01 -0.456973D+00 -0.120775D+02  0.504735D+00
                56            57            58            59            60 
      1   0.475910D+01 -0.360261D+00  0.851462D+01 -0.221213D+02 -0.208090D+00
      2   0.334213D+01  0.566250D+00  0.222130D+01  0.418695D+02 -0.342339D+00
      3  -0.810123D+01 -0.205989D+00 -0.107359D+02 -0.197482D+02  0.550429D+00
      4   0.222382D+02  0.477855D+00  0.236292D+02  0.457533D+02  0.736072D+00
      5   0.803809D+00  0.807410D+01  0.104521D+01  0.157706D+01  0.924052D+01
      6   0.570363D+00  0.422369D+01  0.919308D+00  0.745852D+00  0.175091D+02
                61            62            63            64            65 
      1  -0.903361D-01  0.349828D+00 -0.416244D+01  0.837236D+00 -0.715530D-01
      2   0.630288D+00 -0.894419D+00  0.252032D+01 -0.387931D+01  0.937676D-01
      3  -0.539952D+00  0.544592D+00  0.164212D+01  0.304208D+01 -0.222146D-01
      4  -0.281180D+00 -0.841218D+00  0.107333D+02 -0.444641D+00  0.129535D+01
      5   0.880541D+01  0.107892D+02 -0.422722D+00 -0.181851D+01 -0.330630D+00
      6   0.372426D+01  0.140508D+02 -0.146488D+00 -0.517054D+00  0.336747D+00
                66            67            68            69            70 
      1  -0.283656D+00 -0.132078D-01 -0.372142D+01  0.556123D-01  0.996263D+00
      2   0.139984D+01  0.678932D+00  0.175295D+00 -0.866505D+00  0.234145D+01
      3  -0.111619D+01 -0.665724D+00  0.354613D+01  0.810893D+00 -0.333771D+01
      4  -0.427434D+00  0.263356D+01 -0.236189D+00 -0.521532D+00  0.735360D+00
      5   0.624041D+01  0.783280D-01 -0.890573D+00 -0.476230D+00  0.514346D+01
      6   0.214655D+00 -0.120397D+00  0.980474D-01  0.628667D+01  0.230910D+00
                71            72            73            74            75 
      1   0.138136D+01 -0.165488D+02 -0.102794D+01  0.236502D+00  0.507282D+01
      2  -0.571874D+00 -0.159384D+02 -0.263618D+01 -0.228097D-01 -0.126982D+01
      3  -0.809483D+00  0.324872D+02  0.366412D+01 -0.213692D+00 -0.380300D+01
      4  -0.517967D+00 -0.358886D+00  0.766798D+00  0.754332D+00 -0.148092D+01
      5   0.281915D+00 -0.692574D+01  0.213839D+01 -0.240676D+00  0.422383D+01
      6   0.420601D+01 -0.285790D+01 -0.145912D+01 -0.829899D+00  0.786862D+00
                76            77            78            79            80 
      1   0.127289D+01 -0.531342D+01  0.156358D+01  0.670662D+01  0.281687D+01
      2  -0.658892D+00  0.261477D+01 -0.142401D+01 -0.241625D+01 -0.482440D+00
      3  -0.613997D+00  0.269866D+01 -0.139568D+00 -0.429037D+01 -0.233443D+01
      4   0.165934D+00 -0.135969D+01  0.258686D+01 -0.264132D+01  0.251227D+01
      5   0.123049D-01  0.236225D+01  0.175229D+00  0.451600D+01 -0.295168D+01
      6   0.102681D-01 -0.154846D+01  0.576868D+01  0.918868D-01  0.656971D+01
                81            82            83            84            85 
      1  -0.214969D+02 -0.146482D+01 -0.364748D+01 -0.176633D+01 -0.483619D+01
      2  -0.113174D+02  0.384440D+01  0.268194D+01  0.127136D+01  0.308135D+01
      3   0.328143D+02 -0.237958D+01  0.965547D+00  0.494972D+00  0.175484D+01
      4  -0.133728D+01 -0.161954D+01  0.382860D+01  0.123234D+01  0.507449D+01
      5   0.189317D+02 -0.132954D+01  0.403497D+00  0.831808D+00 -0.304638D-01
      6  -0.131278D+02  0.150510D+01  0.853551D-01  0.294925D+00  0.252121D+00
                86            87            88            89            90 
      1  -0.183038D+02 -0.243461D+01 -0.309188D+01 -0.345404D+01 -0.578100D+01
      2   0.311284D+02  0.477414D+01  0.221148D+01  0.554978D+01  0.339140D+01
      3  -0.128246D+02 -0.233953D+01  0.880406D+00 -0.209575D+01  0.238960D+01
      4  -0.172172D+02 -0.233307D+01  0.169776D+01 -0.415377D+01 -0.285806D+01
      5  -0.283020D+01 -0.270100D+01  0.559549D+00 -0.354438D+01 -0.837553D+00
      6   0.370602D+01  0.552002D+01  0.260060D+00  0.663265D+01  0.266265D+01
                91            92            93            94            95 
      1  -0.112101D+02 -0.248055D+01  0.281966D-01 -0.119010D+02 -0.644981D+01
      2   0.949330D+01  0.191359D+00  0.160915D+00  0.641235D+01  0.102485D+02
      3   0.171677D+01  0.228919D+01 -0.189112D+00  0.548861D+01 -0.379868D+01
      4   0.329536D+00 -0.898731D+00 -0.289934D+00  0.740679D+01 -0.151736D+02
      5   0.786999D+00  0.435515D+00 -0.171177D+01  0.988400D+00  0.260413D+00
      6  -0.137634D+00  0.103588D+00 -0.172210D+01  0.859311D-02  0.367970D+00
                96            97            98            99           100 
      1   0.183727D+00  0.813934D+00  0.201490D+00 -0.102374D+01 -0.807055D+00
      2  -0.135203D+00 -0.570925D+00 -0.248544D+00  0.327618D+00  0.842107D+00
      3  -0.485236D-01 -0.243009D+00  0.470544D-01  0.696120D+00 -0.350523D-01
      4  -0.361892D+00 -0.257961D+00  0.151131D+00 -0.209536D+01  0.219585D+01
      5  -0.379855D+01  0.198905D+01 -0.179897D+01  0.478004D-01  0.225718D+01
      6   0.171756D+01 -0.155487D+01  0.243787D+01 -0.827661D-01  0.259664D+01
               101           102           103           104           105 
      1  -0.874164D+00 -0.740845D+00 -0.244338D+00 -0.281035D+01 -0.177804D+01
      2   0.154491D+01  0.225713D+00  0.667531D+00  0.315151D+01  0.241597D+01
      3  -0.670747D+00  0.515132D+00 -0.423192D+00 -0.341157D+00 -0.637939D+00
      4   0.404885D+01  0.280580D+01  0.356176D+01  0.219372D+01  0.210450D+01
      5   0.158289D+01  0.394672D+01  0.520534D+00  0.145991D+01  0.129865D+01
      6   0.285778D+01  0.485627D+01  0.197887D+01  0.332945D+01  0.573313D+01
               106           107           108           109           110 
      1  -0.183030D+00 -0.527723D+01 -0.866416D+01  0.822569D+00 -0.293934D+01
      2  -0.109550D+01  0.429403D+01 -0.300608D+01  0.559372D+01  0.977495D+01
      3   0.127853D+01  0.983199D+00  0.116702D+02 -0.641629D+01 -0.683561D+01
      4   0.442389D+01  0.387875D+01  0.536637D+01  0.130789D+02  0.133958D+02
      5   0.395448D+01  0.263625D+01  0.716927D+01 -0.360091D+01 -0.257697D+01
      6   0.572556D+01  0.903509D+01  0.209622D+02 -0.581288D+01 -0.519965D+01
               111           112           113           114           115 
      1   0.280213D-01 -0.160615D+01 -0.533433D+01  0.140600D+01  0.854472D+00
      2  -0.224214D+01  0.659900D+01  0.124776D+02 -0.374468D+01 -0.249961D+01
      3   0.221412D+01 -0.499285D+01 -0.714323D+01  0.233868D+01  0.164514D+01
      4  -0.499337D+01  0.113677D+02  0.106553D+02 -0.379925D+01 -0.678948D+01
      5   0.366134D+01 -0.118298D+01 -0.240934D+01  0.165366D+01  0.376149D+01
      6   0.586762D+01 -0.416163D+01 -0.566150D+01  0.501986D+01  0.615051D+01
               116           117           118           119           120 
      1   0.293669D+01 -0.242929D+01  0.421429D+02 -0.132324D+02  0.546610D+01
      2  -0.504242D+01  0.202124D+01 -0.201082D+02  0.548544D+01 -0.257255D+01
      3   0.210573D+01  0.408050D+00 -0.220347D+02  0.774693D+01 -0.289355D+01
      4  -0.573282D+01  0.567268D+01 -0.197014D+02  0.124215D+02 -0.291543D+01
      5   0.303122D+01 -0.320959D+01  0.706660D+01 -0.271176D+01  0.675844D+01
      6   0.736625D+01 -0.611327D+01 -0.867028D+00  0.422187D+00 -0.916161D+00
               121           122           123           124           125 
      1  -0.212362D+02  0.107955D+02 -0.275676D+01  0.109446D+02 -0.362585D+01
      2   0.828133D+01 -0.257200D+01  0.101451D+01 -0.590082D+01  0.155418D+01
      3   0.129548D+02 -0.822345D+01  0.174225D+01 -0.504380D+01  0.207167D+01
      4   0.183112D+02 -0.127272D+02  0.363332D+01 -0.618693D+01  0.430471D+01
      5  -0.435864D+01  0.356593D+01 -0.364356D+01  0.838683D+01 -0.343069D+01
      6   0.967307D+00 -0.992415D+00  0.175331D+01 -0.185998D+01  0.182209D+01
               126 
      1   0.497109D+01
      2  -0.324743D+01
      3  -0.172366D+01
      4  -0.372167D+01
      5   0.313847D+01
      6  -0.969722D+00
 Leave Link  716 at Thu Aug 12 21:45:03 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.648191D+02 -0.196378D+00 -0.598128D+00
      2  -0.196378D+00  0.638136D+02 -0.138129D+00
      3  -0.598128D+00 -0.138129D+00  0.476750D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.485850D+00 -0.176045D+01 -0.111746D+01
      2   0.225811D+01 -0.761708D+00  0.106308D+02
      3   0.538715D+01  0.512212D+01  0.168815D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.277762D+02 -0.250786D+01 -0.124440D+01
      2  -0.187285D+02  0.928174D+00 -0.193815D+01
      3  -0.904765D+01  0.157969D+01  0.318255D+01
      4   0.811855D+00 -0.931605D+01 -0.330957D+01
      5   0.278956D+01 -0.526260D+01  0.234785D+02
      6  -0.218737D+01  0.186020D+01  0.564873D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.626384D+00 -0.220772D+01  0.108149D+01 -0.300677D+01  0.143209D+01
      2  -0.220772D+01  0.234393D+01 -0.346403D+00  0.143209D+01  0.418623D+01
      3   0.108149D+01 -0.346403D+00  0.149459D+01 -0.729346D-01  0.176446D+01
                 6             7             8             9            10 
      1  -0.729346D-01  0.181468D+01 -0.282333D+00  0.114555D+01  0.131719D+01
      2   0.176446D+01 -0.282333D+00  0.198513D+01  0.809603D+00  0.311761D+01
      3   0.663046D+00  0.114555D+01  0.809603D+00 -0.766338D+01 -0.803211D+00
                11            12            13            14            15 
      1   0.311761D+01 -0.803211D+00  0.283832D+01 -0.336590D+00  0.899979D-01
      2  -0.178846D+01  0.506952D+00 -0.336590D+00 -0.301700D+01 -0.890917D+00
      3   0.506952D+00 -0.538527D+00  0.899979D-01 -0.890917D+00  0.382537D+00
                16            17            18            19            20 
      1  -0.612176D+00  0.100875D+01 -0.913644D+00 -0.230105D+01 -0.159436D+01
      2   0.100875D+01 -0.134223D+01 -0.126248D+00 -0.159436D+01  0.179847D+01
      3  -0.913644D+00 -0.126248D+00  0.701847D+01 -0.572321D-01 -0.270679D-01
                21            22            23            24            25 
      1  -0.572321D-01  0.521242D-01  0.175616D+01  0.246300D-01  0.634032D-01
      2  -0.270679D-01  0.175616D+01  0.597142D+01  0.630959D-02  0.513584D-01
      3  -0.294990D+00  0.246300D-01  0.630959D-02  0.620590D+00 -0.233463D+00
                26            27            28            29            30 
      1   0.513584D-01 -0.233463D+00 -0.775247D+01  0.148352D+01  0.367640D+00
      2   0.382069D+00  0.319361D+00  0.148352D+01 -0.277610D+01 -0.181845D+00
      3   0.319361D+00 -0.501406D+00  0.367640D+00 -0.181845D+00 -0.926310D+00
                31            32            33            34            35 
      1  -0.203915D+01 -0.331560D+01 -0.515882D-01  0.856317D+00 -0.111751D+00
      2  -0.331560D+01 -0.456866D+00  0.175336D+00 -0.111751D+00  0.119693D+00
      3  -0.515882D-01  0.175336D+00  0.510718D+00 -0.161611D+01  0.128306D+01
                36            37            38            39            40 
      1  -0.161611D+01  0.185281D+01  0.272122D+01 -0.153519D+01  0.580044D+01
      2   0.128306D+01  0.272122D+01 -0.973140D+00  0.515414D+00 -0.461403D+00
      3   0.651762D+00 -0.153519D+01  0.515414D+00 -0.495418D+00  0.556786D+00
                41            42            43            44            45 
      1  -0.461403D+00  0.556786D+00 -0.349497D+01  0.709776D+00  0.920556D+00
      2   0.222334D+01 -0.107679D+01  0.709776D+00 -0.103058D+01  0.574248D+00
      3  -0.107679D+01  0.510655D+00  0.920556D+00  0.574248D+00 -0.690513D+00
                46            47            48            49            50 
      1  -0.235540D+01 -0.186076D+01  0.101265D+01 -0.126083D+01 -0.153147D+01
      2  -0.186076D+01 -0.159018D+01  0.586119D-01 -0.153147D+01  0.520811D+01
      3   0.101265D+01  0.586119D-01 -0.188562D+01  0.330957D+00  0.713597D+00
                51            52            53            54            55 
      1   0.330957D+00  0.119314D+01  0.327272D+00 -0.195956D+01 -0.227769D+01
      2   0.713597D+00  0.327272D+00  0.683663D+00 -0.620154D+00 -0.322424D+01
      3  -0.606606D+00 -0.195956D+01 -0.620154D+00 -0.410652D+01 -0.374772D-02
                56            57            58            59            60 
      1  -0.322424D+01 -0.374772D-02 -0.408703D+01 -0.241959D+01 -0.650676D-02
      2  -0.291568D+01 -0.140429D+00 -0.241959D+01 -0.129711D+02  0.251595D-01
      3  -0.140429D+00 -0.419847D+00 -0.650676D-02  0.251595D-01 -0.248178D+01
                61            62            63            64            65 
      1  -0.465278D-01  0.539093D-01 -0.100609D+01  0.414982D+00 -0.569901D+00
      2   0.539093D-01  0.226701D+00 -0.311308D+01 -0.569901D+00  0.476646D+00
      3  -0.100609D+01 -0.311308D+01  0.125259D+00 -0.108932D+01 -0.774833D-01
                66            67            68            69            70 
      1  -0.108932D+01 -0.834395D+00  0.362917D+00  0.592213D-01 -0.189699D+01
      2  -0.774833D-01  0.362917D+00  0.602748D+00 -0.111241D+01 -0.229420D+00
      3   0.867688D+00  0.592213D-01 -0.111241D+01 -0.213316D+00  0.745861D+00
                71            72            73            74            75 
      1  -0.229420D+00  0.745861D+00 -0.457901D+00  0.186063D+00  0.121954D+01
      2  -0.144804D+01  0.219496D+00  0.186063D+00 -0.320638D+00  0.121017D+00
      3   0.219496D+00 -0.846185D+01  0.121954D+01  0.121017D+00 -0.829812D+00
                76            77            78            79            80 
      1   0.553049D+00 -0.247264D+00  0.831709D-02  0.197603D+01 -0.197835D+00
      2  -0.247264D+00 -0.816217D+00  0.107175D+01 -0.197835D+00  0.126845D+01
      3   0.831709D-02  0.107175D+01  0.445315D-01 -0.225406D+00 -0.111650D+01
                81            82            83            84            85 
      1  -0.225406D+00 -0.672932D+00 -0.936364D+00 -0.607870D+00 -0.145823D+01
      2  -0.111650D+01 -0.936364D+00 -0.332461D+00  0.384953D-01 -0.831514D-01
      3   0.882093D+01 -0.607870D+00  0.384953D-01 -0.128791D+00 -0.364367D-01
                86            87            88            89            90 
      1  -0.831514D-01 -0.364367D-01 -0.112462D+01  0.885652D-01 -0.192231D+00
      2  -0.792582D+01 -0.119400D+01  0.885652D-01 -0.177478D+01 -0.145580D+01
      3  -0.119400D+01 -0.126422D+01 -0.192231D+00 -0.145580D+01 -0.210979D+00
                91            92            93            94            95 
      1   0.242863D+01  0.174032D+01 -0.126502D+00  0.436630D+01  0.154668D+00
      2   0.174032D+01  0.732082D+00  0.997692D-01  0.154668D+00  0.459060D+01
      3  -0.126502D+00  0.997692D-01 -0.347710D+00 -0.703245D-01  0.928843D-01
                96            97            98            99           100 
      1  -0.703245D-01 -0.293577D+00 -0.889914D-01 -0.566950D+00  0.303002D+00
      2   0.928843D-01 -0.889914D-01 -0.102263D+00  0.501284D+00  0.780131D+00
      3   0.832938D+00 -0.566950D+00  0.501284D+00  0.506779D-01  0.775245D+00
               101           102           103           104           105 
      1   0.780131D+00  0.775245D+00  0.544527D+00  0.355668D+00  0.393445D+00
      2   0.568858D+00  0.655092D+00  0.355668D+00  0.964684D+00  0.784748D+00
      3   0.655092D+00  0.110598D+01  0.393445D+00  0.784748D+00  0.660878D+00
               106           107           108           109           110 
      1   0.151611D+01  0.483243D+00  0.147420D+01  0.298892D+01  0.255715D+01
      2   0.483243D+00  0.219519D+01  0.189896D+01  0.255715D+01  0.299550D+01
      3   0.147420D+01  0.189896D+01  0.595594D+01 -0.109607D+01 -0.839325D+00
               111           112           113           114           115 
      1  -0.109607D+01  0.268036D+01  0.201580D+01 -0.709525D+00 -0.204861D+01
      2  -0.839325D+00  0.201580D+01  0.324667D+01 -0.893866D+00 -0.111839D+01
      3   0.129013D+01 -0.709525D+00 -0.893866D+00  0.101430D+01  0.126988D+01
               116           117           118           119           120 
      1  -0.111839D+01  0.126988D+01  0.713829D+01 -0.219267D+01  0.862572D+00
      2  -0.182660D+01  0.129415D+01 -0.219267D+01  0.178117D+01 -0.382799D+00
      3   0.129415D+01 -0.135917D+01  0.862572D+00 -0.382799D+00  0.110863D+01
               121           122           123           124           125 
      1  -0.414871D+01  0.231778D+01 -0.516038D+00  0.209779D+01 -0.694158D+00
      2   0.231778D+01 -0.180682D+01  0.533747D+00 -0.694158D+00  0.663597D+00
      3  -0.516038D+00  0.533747D+00 -0.674279D+00  0.115741D+01 -0.468384D+00
               126 
      1   0.115741D+01
      2  -0.468384D+00
      3   0.370784D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.137908D+01  0.487393D+00  0.236781D+01 -0.752138D+00  0.674854D+01
      2   0.222503D+01 -0.108794D+01  0.772099D+00 -0.245536D+00  0.811261D+00
      3   0.310267D+01  0.385372D-01 -0.543337D-01  0.614801D+01 -0.667805D+01
                 6             7             8             9            10 
      1  -0.126356D+01  0.136480D+01  0.304230D+01 -0.696892D+01 -0.150546D+01
      2  -0.326159D+00 -0.181938D+01  0.957296D+00 -0.580973D+01  0.121057D+01
      3  -0.209116D+01 -0.222296D+01 -0.253066D+01 -0.222348D+01  0.499322D+00
                11            12            13            14            15 
      1   0.584891D+00 -0.695642D+00  0.711812D+00  0.156855D+00 -0.599973D+00
      2  -0.322251D+00  0.364291D+01  0.220928D+01 -0.176772D+01  0.105581D+01
      3  -0.525966D+01  0.426815D+00  0.248202D-01  0.601894D+00  0.665469D+00
                16            17            18            19            20 
      1  -0.106460D+01  0.460754D+01  0.335925D+00  0.802103D+00  0.629456D+00
      2  -0.279378D+01  0.289528D+00  0.375814D+00 -0.439126D+01 -0.232469D+00
      3  -0.853885D+00  0.110742D+01  0.541027D+00 -0.547574D+01  0.597757D-01
                21            22            23            24            25 
      1   0.572506D+00  0.185908D+01  0.112683D+00  0.913040D+01 -0.144841D+00
      2  -0.574544D+01 -0.759280D+00  0.116084D+01 -0.231447D+01 -0.178081D+02
      3  -0.113557D+00 -0.406943D+00  0.948013D+01 -0.156943D+01  0.190151D+01
                26            27            28            29            30 
      1   0.930859D+01  0.586508D-02 -0.746375D+00 -0.580678D+00  0.272919D+01
      2  -0.199037D+01  0.326299D+01  0.495409D+00  0.246920D+00  0.753665D+01
      3  -0.198446D+01  0.105726D+01 -0.596276D+01 -0.148358D+02 -0.561393D-02
                31            32            33            34            35 
      1  -0.240660D+00 -0.454275D+00 -0.397320D+01  0.707319D+00  0.205720D+01
      2   0.884153D+00 -0.235307D+00 -0.699799D+00  0.523520D+01 -0.997711D+00
      3  -0.106770D+02 -0.732142D+01  0.245978D+00  0.180277D+00  0.176626D+01
                36            37            38            39            40 
      1  -0.472497D+00 -0.558119D+00 -0.632898D+00 -0.167697D+01  0.784486D+00
      2  -0.200792D+01 -0.587659D+01  0.150857D+01  0.436037D+01  0.203143D+01
      3   0.188188D+01 -0.116702D+02 -0.322896D+01 -0.713998D+00  0.396293D+01
                41            42            43            44            45 
      1  -0.756627D+00 -0.195508D+01  0.633293D-01  0.315409D+01 -0.540420D-01
      2  -0.239408D+01  0.352861D+01 -0.349307D+01  0.194576D+01 -0.356558D+01
      3  -0.857696D+01  0.228372D+01 -0.670166D+00  0.360307D+01 -0.201993D+01
                46            47            48            49            50 
      1  -0.245469D+01 -0.100076D+01  0.468681D+01 -0.208905D+01 -0.334742D+01
      2   0.916793D-01  0.150699D+01  0.373256D+01  0.261920D+00  0.743202D+00
      3  -0.515807D+01 -0.109497D+02  0.151243D+01  0.199301D+01 -0.219002D+01
                51            52            53            54            55 
      1  -0.323660D+01  0.524476D+01  0.637921D+01  0.765594D+01  0.293261D+00
      2  -0.680205D+00 -0.361897D+01 -0.536217D+00  0.321693D+00  0.208940D+00
      3   0.720415D+00  0.303546D+01  0.931076D+00 -0.465534D+01  0.292316D+00
                56            57            58            59            60 
      1   0.234428D+00 -0.310462D+01 -0.923966D-01  0.879483D+00 -0.110243D+02
      2   0.165283D+00  0.515372D+01 -0.846076D+00 -0.609312D+00  0.471943D+01
      3  -0.499045D+01 -0.116948D+00  0.975018D+01 -0.183385D+02  0.467525D+00
                61            62            63            64            65 
      1  -0.453132D+00  0.115155D+01  0.388406D+00  0.400639D+00 -0.712213D+00
      2   0.230555D+01  0.452777D+01 -0.120478D+01  0.780669D+00 -0.106746D+00
      3  -0.124255D+01  0.497252D+00 -0.436353D+01  0.351531D+00 -0.665209D+00
                66            67            68            69            70 
      1   0.156084D+00 -0.599486D+00 -0.473269D+00 -0.176448D+00  0.179826D+00
      2   0.450570D+00 -0.278176D+00  0.362043D+00 -0.386986D+00 -0.246216D+01
      3  -0.244006D+00  0.110291D+01 -0.186635D+00  0.257485D+00 -0.146621D+00
                71            72            73            74            75 
      1   0.282625D+01  0.103009D+01  0.103403D+01 -0.504234D+00 -0.323933D+00
      2  -0.954147D-01 -0.167722D+01  0.217132D+01  0.377206D+00 -0.639881D+00
      3   0.254255D+00  0.335958D+00  0.522415D+00 -0.692591D+00 -0.115622D+01
                76            77            78            79            80 
      1  -0.401064D+00  0.527667D+00 -0.250242D+00 -0.580532D+00  0.261519D+01
      2  -0.541509D-01  0.155569D+01 -0.208193D+00 -0.463847D+01 -0.939321D+00
      3   0.533024D+00  0.909932D+00 -0.116033D+01 -0.153409D+01 -0.112047D+01
                81            82            83            84            85 
      1   0.814713D+01 -0.102029D+01 -0.263917D-01 -0.280375D+00 -0.218217D+00
      2   0.953112D+01 -0.597656D+00  0.237764D+00  0.525413D+00 -0.308422D+00
      3   0.165551D+01  0.261893D+01  0.154257D+01  0.691129D+00  0.513141D+01
                86            87            88            89            90 
      1  -0.398694D+01 -0.402303D+01 -0.347165D+00 -0.135797D+01 -0.107666D+01
      2  -0.719230D+00 -0.111176D+01 -0.119856D+01 -0.125309D+01 -0.407559D+00
      3   0.964079D+01  0.180368D+01  0.190778D+01  0.205052D+01  0.195873D+01
                91            92            93            94            95 
      1   0.641606D+00  0.386300D+00  0.862715D+00  0.342690D+00  0.681059D+00
      2  -0.615412D+00 -0.528078D+00 -0.147517D+01 -0.425948D+00 -0.581599D+00
      3   0.859233D+01  0.921177D+01 -0.550087D-01  0.120051D+02  0.145852D+02
                96            97            98            99           100 
      1  -0.106701D+01  0.841715D+00  0.106318D+01  0.207006D+00 -0.127965D+01
      2  -0.217228D+01 -0.213557D+01 -0.145210D+01  0.961161D-01 -0.480774D+00
      3   0.329894D+00 -0.498294D+00 -0.886883D+00 -0.258284D+00  0.620514D+00
               101           102           103           104           105 
      1  -0.661817D+00 -0.273220D+01 -0.332836D+00 -0.176697D+01 -0.191189D+01
      2   0.120172D+00  0.407287D+00  0.174293D+00 -0.101642D+00  0.346158D+00
      3   0.849043D+00  0.100437D+01  0.172240D+01  0.551228D+00  0.513880D+00
               106           107           108           109           110 
      1  -0.368501D+01 -0.169375D+01 -0.121048D+02  0.239375D+01  0.184565D+01
      2  -0.189955D+01  0.521590D+00  0.763676D+00  0.563431D+00 -0.220786D+00
      3   0.300334D+01  0.960901D-01  0.299298D+01  0.641990D+01  0.323815D+01
               111           112           113           114           115 
      1  -0.344563D+01  0.169892D+01  0.168368D+01 -0.231282D+01 -0.274068D+01
      2   0.963272D+00 -0.958708D-01 -0.957077D-01  0.782813D+00 -0.670788D+00
      3  -0.222222D+01  0.608027D+01  0.235546D+01 -0.128245D+01 -0.474441D+01
               116           117           118           119           120 
      1  -0.149726D+01  0.244954D+01  0.620120D+00 -0.491247D-01  0.884250D+00
      2   0.397133D+00 -0.729262D+00  0.391529D+01 -0.172999D+01  0.416121D+01
      3  -0.143591D+01  0.222685D+01  0.534545D+01 -0.622590D+01  0.111665D+01
               121           122           123           124           125 
      1  -0.371784D+00  0.608922D-01 -0.118183D+01  0.515641D+00  0.252368D+00
      2  -0.254762D+01  0.187156D+01 -0.253296D+01  0.258527D+01 -0.127520D+01
      3  -0.495774D+01  0.506728D+01 -0.148353D+01  0.188461D+01 -0.234756D+01
               126 
      1   0.387507D+00
      2   0.134948D+01
      3   0.870375D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.149579D+02 -0.960930D+00 -0.841538D+00 -0.844337D+01  0.129423D+02
      2   0.811775D+01 -0.234613D+01 -0.450334D+01  0.413011D+01 -0.181230D+02
      3   0.684013D+01  0.330706D+01  0.534488D+01  0.431326D+01  0.518070D+01
      4  -0.459398D+01  0.137778D+01 -0.189889D+01  0.684103D+01  0.667546D+01
      5   0.444931D+01 -0.182387D+01 -0.239134D+01  0.601999D+00  0.398866D+01
      6  -0.394226D+01  0.210563D+01 -0.313675D+01  0.896206D+00 -0.610155D+01
                 6             7             8             9            10 
      1   0.218718D+01  0.626766D+01  0.146095D+01  0.165425D+02 -0.341798D+01
      2  -0.573097D+01 -0.488603D+01 -0.438306D+01  0.292833D+01  0.500385D+01
      3   0.354379D+01 -0.138163D+01  0.292211D+01 -0.194708D+02 -0.158587D+01
      4   0.345244D+01 -0.468574D+00  0.510372D+01  0.717067D+00  0.909376D+00
      5  -0.287300D+00  0.300477D+01  0.206605D+01 -0.144708D+02 -0.600337D+00
      6   0.404344D+00 -0.121156D+01 -0.126216D+01  0.853890D+01  0.120696D+01
                11            12            13            14            15 
      1   0.176205D+01 -0.107205D+01  0.157540D+01  0.352098D+01  0.976642D+00
      2  -0.144173D+01  0.127426D+00 -0.440120D+00 -0.728468D+01 -0.833939D+00
      3  -0.320317D+00  0.944627D+00 -0.113528D+01  0.376370D+01 -0.142703D+00
      4   0.187774D+01  0.428366D+00 -0.663545D+01 -0.127068D+00 -0.112317D+01
      5   0.785565D+00  0.748375D+00  0.271892D-01 -0.587017D+00  0.102052D+01
      6  -0.169498D+01  0.268249D+00 -0.221769D+01  0.112657D+00 -0.315872D+01
                16            17            18            19            20 
      1  -0.509176D+01  0.114059D+01  0.647955D+01 -0.468175D+01  0.906596D+01
      2   0.432696D+00 -0.391020D+01  0.104605D+02  0.416523D+00 -0.939130D+01
      3   0.465906D+01  0.276961D+01 -0.169401D+02  0.426523D+01  0.325347D+00
      4  -0.216294D+01 -0.124997D+01  0.902160D+00  0.244903D+01 -0.118239D+02
      5  -0.130162D+01 -0.339905D+00  0.721131D+01 -0.305209D+00 -0.143610D+01
      6   0.425608D+00  0.105070D+01  0.977862D+00 -0.412665D+00  0.159705D+00
                21            22            23            24            25 
      1  -0.804123D+00  0.392495D-01  0.812099D+01  0.269821D-01  0.156311D+01
      2  -0.147637D+01 -0.363419D+01 -0.191779D+02  0.596959D+00 -0.202100D+01
      3   0.228049D+01  0.359495D+01  0.110569D+02 -0.623942D+00  0.457889D+00
      4  -0.657938D+00 -0.205000D+02 -0.227469D+02  0.136956D+00 -0.103875D+00
      5  -0.681171D+01 -0.155460D+01 -0.710259D+00 -0.203512D+01  0.170177D+01
      6   0.981519D+00 -0.522649D+00 -0.116202D+01 -0.139496D+02 -0.254520D+00
                26            27            28            29            30 
      1  -0.202455D+01 -0.469057D+01  0.415025D+02 -0.728635D+01 -0.435676D+00
      2   0.131391D+01 -0.644581D+01 -0.251344D+02  0.118394D+01  0.989042D+00
      3   0.710642D+00  0.111364D+02 -0.163681D+02  0.610241D+01 -0.553366D+00
      4   0.225161D+01 -0.224163D+01 -0.193254D+02  0.176787D+02  0.763644D+00
      5  -0.156896D+01  0.290710D+01 -0.157927D+01  0.356192D+00  0.140138D+02
      6   0.325619D+01 -0.440050D-01  0.514024D+00 -0.449994D+00 -0.470961D+01
                31            32            33            34            35 
      1   0.434392D+01  0.863042D+01 -0.812448D+00 -0.121694D+01  0.236888D+00
      2  -0.620757D+01 -0.182179D+01  0.316058D+00  0.165727D+01  0.310301D+00
      3   0.186364D+01 -0.680863D+01  0.496390D+00 -0.440334D+00 -0.547189D+00
      4   0.147043D+02 -0.511910D+01 -0.103947D+01  0.114476D+01 -0.126199D+01
      5  -0.742899D+00 -0.128131D+01 -0.328706D+01  0.134630D+02 -0.616581D+01
      6  -0.840557D+00  0.773544D+00  0.803053D+01 -0.199394D+01  0.567892D+01
                36            37            38            39            40 
      1   0.465153D+01  0.153561D+02  0.146331D+02 -0.660713D+01  0.310377D+02
      2  -0.750038D+01 -0.111870D+02 -0.593511D+01  0.639111D+01 -0.160301D+02
      3   0.284885D+01 -0.416915D+01 -0.869799D+01  0.216021D+00 -0.150075D+02
      4  -0.548488D+01  0.174614D+02  0.226555D+01  0.373779D+01 -0.267556D+01
      5  -0.359565D+01 -0.107082D+02  0.337915D+01  0.865567D+01  0.365867D+01
      6   0.111099D+01  0.230359D+01 -0.742365D+00  0.115963D+01 -0.746140D+00
                41            42            43            44            45 
      1  -0.515302D+01  0.280527D+01 -0.180990D+02  0.340897D+01  0.135624D+00
      2   0.524147D+01  0.261795D+00  0.965292D+01 -0.140121D+01 -0.630989D+01
      3  -0.884512D-01 -0.306707D+01  0.844604D+01 -0.200776D+01  0.617427D+01
      4   0.140763D+02 -0.577351D+01  0.657403D+01 -0.675676D+01  0.284086D+01
      5  -0.513754D+01  0.506984D+01  0.951190D+01  0.370348D+01 -0.685251D+01
      6   0.158874D+01  0.363986D+01 -0.550165D+00  0.342648D+01  0.102868D+01
                46            47            48            49            50 
      1   0.121394D+02  0.774193D+00  0.151897D+01  0.162758D+01 -0.173451D+02
      2  -0.115776D+02 -0.503043D+01  0.133132D+01 -0.536285D+01  0.271571D+02
      3  -0.561850D+00  0.425624D+01 -0.285028D+01  0.373528D+01 -0.981203D+01
      4  -0.904049D+01 -0.464623D+01  0.307999D+01  0.933997D+00 -0.484344D+01
      5   0.178954D+01  0.123525D+01  0.143527D+01  0.936951D+00  0.632018D+00
      6   0.451760D+01  0.227553D+01 -0.816880D+01  0.297826D+01  0.460553D+01
                51            52            53            54            55 
      1  -0.112297D+01  0.249844D-01  0.540114D+00  0.233266D+00  0.111922D+02
      2   0.351404D+01  0.286278D+01  0.400406D+01  0.332712D+00 -0.200172D+01
      3  -0.239107D+01 -0.288777D+01 -0.454417D+01 -0.565978D+00 -0.919051D+01
      4   0.170362D+01  0.431646D+01  0.231230D+01 -0.813472D+01  0.173383D+02
      5  -0.222960D+01  0.132296D+01 -0.290407D+01 -0.368922D+01  0.855847D+00
      6   0.340018D+01 -0.938014D+01 -0.456973D+00 -0.120775D+02  0.504735D+00
                56            57            58            59            60 
      1   0.475910D+01 -0.360261D+00  0.851462D+01 -0.221213D+02 -0.208090D+00
      2   0.334213D+01  0.566250D+00  0.222130D+01  0.418695D+02 -0.342339D+00
      3  -0.810123D+01 -0.205989D+00 -0.107359D+02 -0.197482D+02  0.550429D+00
      4   0.222382D+02  0.477855D+00  0.236292D+02  0.457533D+02  0.736072D+00
      5   0.803809D+00  0.807410D+01  0.104521D+01  0.157706D+01  0.924052D+01
      6   0.570363D+00  0.422369D+01  0.919308D+00  0.745852D+00  0.175091D+02
                61            62            63            64            65 
      1  -0.903361D-01  0.349828D+00 -0.416244D+01  0.837236D+00 -0.715530D-01
      2   0.630288D+00 -0.894419D+00  0.252032D+01 -0.387931D+01  0.937676D-01
      3  -0.539952D+00  0.544592D+00  0.164212D+01  0.304208D+01 -0.222146D-01
      4  -0.281180D+00 -0.841218D+00  0.107333D+02 -0.444641D+00  0.129535D+01
      5   0.880541D+01  0.107892D+02 -0.422722D+00 -0.181851D+01 -0.330630D+00
      6   0.372426D+01  0.140508D+02 -0.146488D+00 -0.517054D+00  0.336747D+00
                66            67            68            69            70 
      1  -0.283656D+00 -0.132078D-01 -0.372142D+01  0.556123D-01  0.996263D+00
      2   0.139984D+01  0.678932D+00  0.175295D+00 -0.866505D+00  0.234145D+01
      3  -0.111619D+01 -0.665724D+00  0.354613D+01  0.810893D+00 -0.333771D+01
      4  -0.427434D+00  0.263356D+01 -0.236189D+00 -0.521532D+00  0.735360D+00
      5   0.624041D+01  0.783280D-01 -0.890573D+00 -0.476230D+00  0.514346D+01
      6   0.214655D+00 -0.120397D+00  0.980474D-01  0.628667D+01  0.230910D+00
                71            72            73            74            75 
      1   0.138136D+01 -0.165488D+02 -0.102794D+01  0.236502D+00  0.507282D+01
      2  -0.571874D+00 -0.159384D+02 -0.263618D+01 -0.228097D-01 -0.126982D+01
      3  -0.809483D+00  0.324872D+02  0.366412D+01 -0.213692D+00 -0.380300D+01
      4  -0.517967D+00 -0.358886D+00  0.766798D+00  0.754332D+00 -0.148092D+01
      5   0.281915D+00 -0.692574D+01  0.213839D+01 -0.240676D+00  0.422383D+01
      6   0.420601D+01 -0.285790D+01 -0.145912D+01 -0.829899D+00  0.786862D+00
                76            77            78            79            80 
      1   0.127289D+01 -0.531342D+01  0.156358D+01  0.670662D+01  0.281687D+01
      2  -0.658892D+00  0.261477D+01 -0.142401D+01 -0.241625D+01 -0.482440D+00
      3  -0.613997D+00  0.269866D+01 -0.139568D+00 -0.429037D+01 -0.233443D+01
      4   0.165934D+00 -0.135969D+01  0.258686D+01 -0.264132D+01  0.251227D+01
      5   0.123049D-01  0.236225D+01  0.175229D+00  0.451600D+01 -0.295168D+01
      6   0.102681D-01 -0.154846D+01  0.576868D+01  0.918868D-01  0.656971D+01
                81            82            83            84            85 
      1  -0.214969D+02 -0.146482D+01 -0.364748D+01 -0.176633D+01 -0.483619D+01
      2  -0.113174D+02  0.384440D+01  0.268194D+01  0.127136D+01  0.308135D+01
      3   0.328143D+02 -0.237958D+01  0.965547D+00  0.494972D+00  0.175484D+01
      4  -0.133728D+01 -0.161954D+01  0.382860D+01  0.123234D+01  0.507449D+01
      5   0.189317D+02 -0.132954D+01  0.403497D+00  0.831808D+00 -0.304638D-01
      6  -0.131278D+02  0.150510D+01  0.853551D-01  0.294925D+00  0.252121D+00
                86            87            88            89            90 
      1  -0.183038D+02 -0.243461D+01 -0.309188D+01 -0.345404D+01 -0.578100D+01
      2   0.311284D+02  0.477414D+01  0.221148D+01  0.554978D+01  0.339140D+01
      3  -0.128246D+02 -0.233953D+01  0.880406D+00 -0.209575D+01  0.238960D+01
      4  -0.172172D+02 -0.233307D+01  0.169776D+01 -0.415377D+01 -0.285806D+01
      5  -0.283020D+01 -0.270100D+01  0.559549D+00 -0.354438D+01 -0.837553D+00
      6   0.370602D+01  0.552002D+01  0.260060D+00  0.663265D+01  0.266265D+01
                91            92            93            94            95 
      1  -0.112101D+02 -0.248055D+01  0.281966D-01 -0.119010D+02 -0.644981D+01
      2   0.949330D+01  0.191359D+00  0.160915D+00  0.641235D+01  0.102485D+02
      3   0.171677D+01  0.228919D+01 -0.189112D+00  0.548861D+01 -0.379868D+01
      4   0.329536D+00 -0.898731D+00 -0.289934D+00  0.740679D+01 -0.151736D+02
      5   0.786999D+00  0.435515D+00 -0.171177D+01  0.988400D+00  0.260413D+00
      6  -0.137634D+00  0.103588D+00 -0.172210D+01  0.859311D-02  0.367970D+00
                96            97            98            99           100 
      1   0.183727D+00  0.813934D+00  0.201490D+00 -0.102374D+01 -0.807055D+00
      2  -0.135203D+00 -0.570925D+00 -0.248544D+00  0.327618D+00  0.842107D+00
      3  -0.485236D-01 -0.243009D+00  0.470544D-01  0.696120D+00 -0.350523D-01
      4  -0.361892D+00 -0.257961D+00  0.151131D+00 -0.209536D+01  0.219585D+01
      5  -0.379855D+01  0.198905D+01 -0.179897D+01  0.478004D-01  0.225718D+01
      6   0.171756D+01 -0.155487D+01  0.243787D+01 -0.827661D-01  0.259664D+01
               101           102           103           104           105 
      1  -0.874164D+00 -0.740845D+00 -0.244338D+00 -0.281035D+01 -0.177804D+01
      2   0.154491D+01  0.225713D+00  0.667531D+00  0.315151D+01  0.241597D+01
      3  -0.670747D+00  0.515132D+00 -0.423192D+00 -0.341157D+00 -0.637939D+00
      4   0.404885D+01  0.280580D+01  0.356176D+01  0.219372D+01  0.210450D+01
      5   0.158289D+01  0.394672D+01  0.520534D+00  0.145991D+01  0.129865D+01
      6   0.285778D+01  0.485627D+01  0.197887D+01  0.332945D+01  0.573313D+01
               106           107           108           109           110 
      1  -0.183030D+00 -0.527723D+01 -0.866416D+01  0.822569D+00 -0.293934D+01
      2  -0.109550D+01  0.429403D+01 -0.300608D+01  0.559372D+01  0.977495D+01
      3   0.127853D+01  0.983199D+00  0.116702D+02 -0.641629D+01 -0.683561D+01
      4   0.442389D+01  0.387875D+01  0.536637D+01  0.130789D+02  0.133958D+02
      5   0.395448D+01  0.263625D+01  0.716927D+01 -0.360091D+01 -0.257697D+01
      6   0.572556D+01  0.903509D+01  0.209622D+02 -0.581288D+01 -0.519965D+01
               111           112           113           114           115 
      1   0.280213D-01 -0.160615D+01 -0.533433D+01  0.140600D+01  0.854472D+00
      2  -0.224214D+01  0.659900D+01  0.124776D+02 -0.374468D+01 -0.249961D+01
      3   0.221412D+01 -0.499285D+01 -0.714323D+01  0.233868D+01  0.164514D+01
      4  -0.499337D+01  0.113677D+02  0.106553D+02 -0.379925D+01 -0.678948D+01
      5   0.366134D+01 -0.118298D+01 -0.240934D+01  0.165366D+01  0.376149D+01
      6   0.586762D+01 -0.416163D+01 -0.566150D+01  0.501986D+01  0.615051D+01
               116           117           118           119           120 
      1   0.293669D+01 -0.242929D+01  0.421429D+02 -0.132324D+02  0.546610D+01
      2  -0.504242D+01  0.202124D+01 -0.201082D+02  0.548544D+01 -0.257255D+01
      3   0.210573D+01  0.408050D+00 -0.220347D+02  0.774693D+01 -0.289355D+01
      4  -0.573282D+01  0.567268D+01 -0.197014D+02  0.124215D+02 -0.291543D+01
      5   0.303122D+01 -0.320959D+01  0.706660D+01 -0.271176D+01  0.675844D+01
      6   0.736625D+01 -0.611327D+01 -0.867028D+00  0.422187D+00 -0.916161D+00
               121           122           123           124           125 
      1  -0.212362D+02  0.107955D+02 -0.275676D+01  0.109446D+02 -0.362585D+01
      2   0.828133D+01 -0.257200D+01  0.101451D+01 -0.590082D+01  0.155418D+01
      3   0.129548D+02 -0.822345D+01  0.174225D+01 -0.504380D+01  0.207167D+01
      4   0.183112D+02 -0.127272D+02  0.363332D+01 -0.618693D+01  0.430471D+01
      5  -0.435864D+01  0.356593D+01 -0.364356D+01  0.838683D+01 -0.343069D+01
      6   0.967307D+00 -0.992415D+00  0.175331D+01 -0.185998D+01  0.182209D+01
               126 
      1   0.497109D+01
      2  -0.324743D+01
      3  -0.172366D+01
      4  -0.372167D+01
      5   0.313847D+01
      6  -0.969722D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.180292D+01      0.458257D+01      0.152858D+02
   x          0.159952D+01      0.406557D+01      0.135613D+02
   y          0.794022D+00      0.201820D+01      0.673200D+01
   z          0.248180D+00      0.630811D+00      0.210416D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.546089D+02      0.809221D+01      0.900380D+01
   aniso      0.168805D+02      0.250143D+01      0.278321D+01
   xx         0.609591D+02      0.903320D+01      0.100508D+02
   yx        -0.350373D+00     -0.519199D-01     -0.577687D-01
   yy         0.594451D+02      0.880885D+01      0.980117D+01
   zx        -0.567215D+00     -0.840526D-01     -0.935212D-01
   zy        -0.340346D+00     -0.504341D-01     -0.561155D-01
   zz         0.434226D+02      0.643457D+01      0.715942D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.587692D+02      0.870870D+01      0.968973D+01
   aniso      0.167015D+02      0.247490D+01      0.275370D+01
   xx         0.648191D+02      0.960519D+01      0.106872D+02
   yx        -0.196378D+00     -0.291002D-01     -0.323783D-01
   yy         0.638136D+02      0.945620D+01      0.105214D+02
   zx        -0.598128D+00     -0.886335D-01     -0.986180D-01
   zy        -0.138129D+00     -0.204686D-01     -0.227744D-01
   zz         0.476750D+02      0.706470D+01      0.786054D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.71217691         -2.12392657          1.59489089
     6          0.54329117          0.48283566          0.40181008
     6         -0.38051695          0.30545715         -2.34581313
     8         -1.82153766          2.25705460         -3.05138698
     8          1.77925707         -1.79957707          4.04463021
     7         -0.99923302          2.30938596          1.80071326
     8          0.17860437         -1.39298134         -3.74362181
     1          2.45941180          1.25282505          0.29631811
     1         -1.18663715         -2.95402986          1.71554146
     1          1.87086727         -3.34339537          0.40147124
     1         -2.01132222          3.30594049         -1.52687232
     1         -2.53240983          1.44828648          2.56753169
     1         -0.00622390          3.05805386          3.25251610
     1          2.06064444         -3.43555585          4.78619915

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.180292D+01      0.458257D+01      0.152858D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.180292D+01      0.458257D+01      0.152858D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.546089D+02      0.809221D+01      0.900380D+01
   aniso      0.168805D+02      0.250143D+01      0.278321D+01
   xx         0.471546D+02      0.698759D+01      0.777474D+01
   yx        -0.644831D+01     -0.955541D+00     -0.106318D+01
   yy         0.567927D+02      0.841580D+01      0.936384D+01
   zx         0.300131D+01      0.444748D+00      0.494849D+00
   zy         0.580769D+00      0.860611D-01      0.957559D-01
   zz         0.598795D+02      0.887323D+01      0.987280D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.587692D+02      0.870870D+01      0.968973D+01
   aniso      0.167015D+02      0.247490D+01      0.275370D+01
   xx         0.514909D+02      0.763017D+01      0.848971D+01
   yx        -0.650582D+01     -0.964063D+00     -0.107266D+01
   yy         0.608338D+02      0.901464D+01      0.100301D+02
   zx         0.278489D+01      0.412679D+00      0.459167D+00
   zy         0.830213D+00      0.123025D+00      0.136884D+00
   zz         0.639829D+02      0.948128D+01      0.105494D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-29\Freq\RM11\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P M1
 1/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=R
 ead Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,1.250904,-0.69005
 ,0.276818\C,0.189479,0.206848,-0.33832\C,-1.218867,-0.343463,-0.063422
 \O,-2.139786,0.610664,0.106878\O,2.516052,-0.170687,-0.121294\N,0.2627
 37,1.61499,0.062074\O,-1.475252,-1.516387,-0.031909\H,0.312462,0.17201
 2,-1.425027\H,1.148785,-0.681214,1.370514\H,1.101193,-1.714061,-0.0698
 9\H,-1.645638,1.460867,0.062581\H,0.529234,1.69436,1.038405\H,0.970182
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     ON THE SURVIVAL OF THE FITTEST -
 "STRONG REPRESENTATIVES FROM EACH PAST ERA THRIVE TODAY,
 SUCH AS PROGRAMMING IN THE THIRTY YEAR OLD LANGUAGE KNOWN
 AS FORTRAN, AND EVEN IN THE ANCIENT SCRIPT KNOWN AS DIRECT
 MACHINE CODE. SOME PEOPLE MIGHT LOOK ON SUCH RELICS AS LIVING
 FOSSILS; OTHERS WOULD POINT OUT THAT EVEN A VERY OLD SPECIES
 MIGHT STILL BE FILLING A PARTICULAR ECOLOGICAL NICHE."
     -- ALAN KAY, SCI.AM. SEPTEMBER 1984
 Job cpu time:       0 days  1 hours  0 minutes 17.7 seconds.
 Elapsed time:       0 days  0 hours  7 minutes 34.0 seconds.
 File lengths (MBytes):  RWF=    129 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:45:03 2021.
